| SpectraBase Spectrum ID |
7totJ2U6qnJ |
| Name |
Cholest-3-en-6-one |
| Alternate Name(s) |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O |
| InChI |
InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h6,11,18-24H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,24?,26-,27-/m1/s1 |
| InChIKey |
XUHYUDASCLGPFM-WFDUKQKSSA-N |
| Molecular Weight |
384.648 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(=O)C4[C@@]([C@]3(CC2)[H])(CCC=C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-001i-0009000000-a39b1cd2e00f5242de37 |
| Source of Spectrum |
Y5-56-704-7 |
| Wiley ID |
879344 |
