SECO-BISABOLOL_OXIDE_B
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 6KpfRhVK0WB |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-6-14(4,18)9-11(16)10-15(5)8-7-12(19-15)13(2,3)17/h6,12,17-18H,1,7-10H2,2-5H3/t12-,14?,15-/m0/s1 |
| InChIKey | ZFYOQBDWZOFODY-JDLVMGNASA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
| Enantiomer InChIKey | ZFYOQBDWZOFODY-SULGFLJSSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | G4-76-SM24-2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- Seco-bisabolol oxide B
(E,4S,7S)-4-hydroxy-4-methyl-1-[(2R)-2-methyl-5-oxo-2-oxolanyl]-7-propan-2-yl-5-undecene-2,10-dione
2-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2-oxoethyl acetate
(8R)-4,8,11-Trihydroxy-2,12(20)-cembradiene-6-one
(8S)-4,8,11-Trihydroxy-2,12(20)-cembradiene-6-one
1-Isopropyl-4,8,11-trihydroxy-4,8-dimethyl-12-methylene-6-oxocyclotetradec-2-ene
2-[5-(2-BENZYLOXY-1-HYDROXYETHYL)-5-METHYL-TETRAHYDROFURAN-2-YL]-PROPAN-2-OL
6-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-5-hydroxy-6-methyl-, [2S-[2.alpha.(2R*,5S*),5.alpha.]]-
8-Oxa-bicyclo(4.2.2)decane-3,7-dione
3-keto-1-oxaspiro[4.5]decane-2-carboxylic acid ethyl ester
2-Methyl-3-oxo-5-hydroxymethyl tetradecan-5-olide
| Title | Journal or Book | Year |
|---|---|---|
| Hydroxylated Bisabolol Oxides: Evidence for Secondary Oxidative Metabolism in Matricaria chamomilla | Journal of Natural Products | 2013 |
This compound is available in the following databases:
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.
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.