Isopimpinellin
Compound with spectra: 27 NMR, 1 FTIR, 1 Raman, and 13 MS (GC)
| SpectraBase Compound ID | 6NPEEkAIod1 |
|---|---|
| InChI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| InChIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| Mol Weight | 246.22 g/mol |
| Molecular Formula | C13H10O5 |
| Exact Mass | 246.052823 g/mol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Indofine Chemical Company, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 19-661 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | B-17-984-13 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CD-361-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C9-0-25-12 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | T-67-2582-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | OS-5-99-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | LQ-1992-3396-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | LQ-1992-3150-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCL3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Indofine Chemical Company, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 19-661 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | (CH2Br)2 |
- 4,9-Dimethoxypsoralene
- 5,8-Dimethoxypsoralen
- DFMAXQKDIGCMTL-UHFFFAOYSA-N
- ISOPIMPINELLIN;5,8-DIMETHOXYPSORALEN
- 5,8-DIMETHOXYFUROCOUMARIN
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-
- 4,9-DIMETHOXY-FURO[3,2-g]CHROMEN-7-ONE
- 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate
9-(chloromethyl)-4-methoxy-7-furo[3,2-g][1]benzopyranone
ALLOIMPERATORIN
2',5',6'-TRIMETHOXY-[2'',3'':3',4']-FURANODIHYDRO-CHALCONE
1,4-BIS-(5-ACETYL-4,7-DIMETHYLBENZOFURAN-6-YLOXY)-BUTANE
1-(5-ACETYL-4,7-DIMETHOXYBENZOFURAN-6-YLOXY)-4-BROMOBUTANE
INDICOLACTONEDIOL
7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE, 4-HYDROXY-9-(3-METHYL-2-BUTENYL)-
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[4-[2-(acetyloxy)-1,1-dimethyl-3-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]propoxy]-3-methyl-2-butenyl]oxy]-
1-(Psoralen-8-yloxy)-8-(adenin-9-yl)-3,6-dioxaoctane
RIVULOBIRIN-A
| Title | Journal or Book | Year |
|---|---|---|
| Anti-Inflammatory Activity of Heterocarpin from the Salt Marsh Plant Corydalis heterocarpa in LPS-Induced RAW 264.7 Macrophage Cells | Molecules | 2015 |
| Fitoquímica e quimiossistemática de Euxylophora paraensis (Rutaceae) | Química Nova | 2012 |
| Chromatographic fingerprint analysis and characterization of furocoumarins in the roots of Angelica dahurica by HPLC/DAD/ESI-MSn technique | Journal of Pharmaceutical and Biomedical Analysis | 2008 |
| Insect antifeedant furanocoumarins from Tetradium daniellii | Phytochemistry | 2003 |
| Coumarins from Peucedanum praeruptorum | Phytochemistry | 1996 |
| 2-Alkyl-4-quinolone alkaloids and cinnamic acid derivatives from Esenbeckia almawillia | Phytochemistry | 1994 |
| Natural abundance17O NMR spectra of coumarins, furocoumarins and related compounds | Magnetic Resonance in Chemistry | 1987 |
| 13C NMR spectroscopy of coumarin derivatives | Organic Magnetic Resonance | 1982 |
Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition
Author: Luigi Mondello
FFNSC provides in-depth coverage of monoterpene and sesquiterpene hydrocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds, essential components in flavor and fragrance research. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
NIST/EPA/NIH Mass Spectral Library 2020
Author: NIST
NIST/EPA/NIH 2020 is a trusted source of mass spectral data and software tools. Wiley's NIST 2020 contains the complete NIST software suite as well as the various NIST libraries in NIST and native manufacturer formats to enable access to advanced search, analysis, and reporting methods found in the original and legacy manufacturer software systems. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
NIST/EPA/NIH MS/MS Mass Spectral Library 2020 LR
Author: NIST
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
NIST/EPA/NIH MS/MS Mass Spectral Library 2020 HR
Author: NIST
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.
Mass Spectra of Designer Drugs 2022
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.