| SpectraBase Spectrum ID |
FINabnmNhvB |
| Name |
Cholesta-1,4,7-trien-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O |
| InChI |
InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,13,15,17-19,23-25H,6-9,11-12,14,16H2,1-5H3/t19-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
XPCUENACEMALQW-JRFVBUDKSA-N |
| Molecular Weight |
380.616 g/mol |
| SMILES |
C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(C=CC(C=C2CC1)=O)C)[H])[H] |
| SPLASH |
splash10-05ai-0915000000-19980a14fcc123b1e079 |
| Source of Spectrum |
F-47-7076-4 |
| Synonyms |
5.beta.-cholesta-1,4,7-trien-3-one
(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID |
1360017 |
