4.alpha.-Acetyl-2.beta.-angeloyl-5.alpha.,8-diisobutyryl-1.beta.,3.alpha.,10,11-tetrahydroxy-Bisabolene
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 9iWY2NKIAp3 |
|---|---|
| InChI | InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(40-26(34)14(2)3)13-20(32)29(9,10)37)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1 |
| InChIKey | JFSHVFZPJSXAOC-AHBCXUIRSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C30H48O12 |
| Exact Mass | 600.314577 g/mol |
| Enantiomer InChIKey | JFSHVFZPJSXAOC-ADPGLHRTSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
4-ALPHA-ACETYL-2-BETA,5-ALPHA,8-TRIISOBUTYRYL-1-BETA,3-ALPHA,10,11-TETRAHYDROXYBISABOLENE
2-BETA-ANGELOYL-5-ALPHA,8-DIISOBUTYRYL-1-BETA,3-ALPHA,4-ALPHA,9,10,11-HEXAHYDROXYBISABOLENE
4-BETA,9-BETA-DIHYDROXY-5-BETA,8-ALPHA-DI-(ISOBUTYRYLOXY)-3-OXO-GERMACRAN-7-BETA,12-ALPHA-OLIDE
CALEIN D,2,3-EPOXY
3.beta.,4.beta.,5.beta.-Trihydroxy-Eudesma-1,7(11)-dien-12,8a-olide
3.beta.-Acetoxy-19-hydroxypregna-5,14-dien-20-one
2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-10,11-(2',2'-dimethyl)methylenedioxy]-bisabol-7(14)-ene
2-BETA-ACETOXY-4-ALPHA-CHLORO-1-BETA,8-DIANGELOYLOXY-3-BETA-HYDROXY-10,11-ISOPROPOXYBISABOL-7(14)-ENE
DCVBZGPVERCUGK-RBUMLPKYSA-N
Cardivin A
| Title | Journal or Book | Year |
|---|---|---|
| Nor-lignan and sesquiterpenes from Cremanthodium ellisii | Phytochemistry | 2000 |
This compound is available in the following databases:
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.