| SpectraBase Compound ID | 7sjPaBGu1vV |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,12,19-20,22,24-25,28-29H,6,8-11,13-16H2,1-5H3/b21-18+ |
| InChIKey | SMOSOVIKLSZGCF-DYTRJAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HtvSRDb0jpU |
|---|---|
| Name | Cholesta-9(11),17(20),24-triene-3,6-diol, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 37926-43-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,12,19-20,22,24-25,28-29H,6,8-11,13-16H2,1-5H3/b21-18+ |
| InChIKey | SMOSOVIKLSZGCF-DYTRJAOYSA-N |
| Molecular Weight | 398.631 g/mol |
| SMILES | OC1C2CC(CCC2(C2=CCC3(\C(CCC3C2C1)=C/(CCC=C(C)C)C)C)C)O |
| SPLASH | splash10-07be-9833000000-772ad5f213dc5486d441 |
| Source of Spectrum | W5-1989-48725-16811 |
| Synonyms | (17E)-Cholesta-9(11),17,24-triene-3,6-diol (17E)-10,13-dimethyl-17-(6-methylhept-5-en-2-ylidene)-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6-diol (17E)-17-(1,5-dimethylhex-4-enylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6-diol |
| Wiley ID | 1368692 |