| SpectraBase Spectrum ID |
ClkpAQOZfEM |
| Name |
A-Homo-5.alpha.-cholest-4-en-4-ol, acetate |
| Alternate Name(s) |
A-Homocholest-4-en-4-ol, acetate, (5.alpha.)-
Cyclohepta[a]cyclopenta[f]naphthalene, A-homocholest-4-en-4-ol deriv.
(1R,3aS,3bS,5aS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-1,2,3,3a,3b,4,5,5a,8,9,10,10a,10b,11,12,12a-hexadecahydrocyclohepta[a]cyclopenta[f]naphthalen-7-yl acetate |
| CAS Registry Number |
31687-40-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-20(2)9-7-10-21(3)26-14-15-27-25-13-12-23-19-24(32-22(4)31)11-8-17-29(23,5)28(25)16-18-30(26,27)6/h19-21,23,25-28H,7-18H2,1-6H3/t21-,23+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
CMLHUAFBXGQSMK-XKTYQPJFSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCCC(=C4)OC(=O)C)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0j5c-9442300000-5ac12c53d6db8ca19452 |
| Source of Spectrum |
J-54-5951-19 |
| Wiley ID |
1385619 |
