| SpectraBase Spectrum ID |
CrtpUuvVaEk |
| Name |
1,4,6-Cholestatrien-3-one |
| Alternate Name(s) |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Cholesta-1,4,6-trien-3-one
EINECS 222-416-3 |
| CAS Registry Number |
3464-60-6 |
| 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/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
NIJCHQWGAFQPFT-GYKMGIIDSA-N |
| Molecular Weight |
380.616 g/mol |
| SMILES |
[C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])=CC(C=C2)=O)C |
| SPLASH |
splash10-000t-0096000000-d65c7e076c65fddf4e5f |
| Source of Spectrum |
J-46-955-0 |
| Wiley ID |
1360004 |
