| SpectraBase Spectrum ID |
GrKkk8FmvTq |
| Name |
2-But-3'-en-1'-yl-5.alpha.-cholestane-3-one |
| Alternate Name(s) |
(5alpha)-2-(3-butenyl)cholestan-3-one
(5S,8R,9S,10S,13R,14S,17R)-2-But-3-enyl-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H52O |
| InChI |
InChI=1S/C31H52O/c1-7-8-12-23-20-31(6)24(19-29(23)32)13-14-25-27-16-15-26(22(4)11-9-10-21(2)3)30(27,5)18-17-28(25)31/h7,21-28H,1,8-20H2,2-6H3/t22-,23?,24+,25+,26-,27+,28+,30-,31+/m1/s1 |
| InChIKey |
LYMFDHWREGRKPP-SJNFSQHBSA-N |
| Molecular Weight |
440.756 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(=O)C(C1)CCC=C)[H])[H])C |
| SPLASH |
splash10-05n3-4009400000-f48e86ab14fa70a5e666 |
| Source of Spectrum |
AT-39-450-7 |
| Wiley ID |
854160 |
