| SpectraBase Spectrum ID |
9UkkANmGayt |
| Name |
CHOLESTA-3,5-DIENE-7-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
382.323565971 u |
| Formula |
C27H42O |
| InChI |
InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey |
TTXJJFWWNDJDNR-CZRUWHASSA-N |
| Molecular Weight |
382.632 g/mol |
| Nominal Mass |
382 u |
| Number of Peaks |
47 |
| SMILES |
C=1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(C(C=C2C1)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |
| SPLASH |
splash10-0089-4906000000-c76793bd488dd8693f71 |
| Source File Reference |
LMCM-50637-214T |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLESTA-3,5-DIEN-7-ONE
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7(2H)-one |
| Wiley ID |
4_542 |
