Simplexin
Compound with spectra: 2 NMR
| SpectraBase Compound ID | D8S7I2IR4PG |
|---|---|
| InChI | InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | JAQJQYMDHBSCKO-YAWJYSLYSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C30H44O8 |
| Exact Mass | 532.303618 g/mol |
| Enantiomer InChIKey | JAQJQYMDHBSCKO-JOXONKFXSA-N |
| 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 |
| Title | Journal or Book | Year |
|---|---|---|
| 13 C-NMR data of daphnane diterpenoids | Magnetic Resonance in Chemistry | 2013 |
| Daphnane Diterpenes from Diarthron vesiculosum: Vesiculosin and Isovesiculosin | Journal of Natural Products | 1985 |
This compound is available in the following databases:
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.
Wiley Registry of Mass Spectral Data 2023
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.