Calicoferol E
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 84sk7pZ958K |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20?,23-,24+,25-,27+/m0/s1 |
| InChIKey | OZROZYIBIZOAQQ-ACKXLEBFSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
| Enantiomer InChIKey | OZROZYIBIZOAQQ-JNKQSNBTSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | G4-58-1295-4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- (1R,3aS,4S,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
- (1R,3aS,4S,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
3-HYDROXY-9,10-SECO-PREGNA-1,3,5(10)-TRIENE-9,10-DIONE
2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-1-[2-(3-methoxyphenyl)ethyl]-4a-methyl-, [1S-(1.alpha.,4a.beta.,5.beta.,8a.beta.)]-
17a.beta.-(t-Butoxy)-3-methoxy-D-homo-9,10-seco-14.beta.-estra-1,3,5(10)-trien-9-one
Calicoferol C
CALCIFEROL-G
Calicoferol G
3-[(1S,3aS,4S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-keto-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propionic acid methyl ester
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethyl-cyclohexane-1,3-diol
Cholecalciferol, 1TMS
(22E)-Des-A,B-25-(1-methylene-hexyl)-24-oxo-8.beta.-[(triethylsilyl)oxy]-26,27-cyclo-22-dehydrocholestane
| Title | Journal or Book | Year |
|---|---|---|
| New Secosteroids from an Undescribed Gorgonian of the Genus Muricella | Journal of Natural Products | 1995 |
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.