| SpectraBase Spectrum ID |
4oCeRc6C6jJ |
| Name |
Cholestane, 3-butyl- |
| Alternate Name(s) |
3-Butylcholestane
3-Butyl-cholestane
(8R,9S,10S,13R,14S,17R)-3-butyl-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene |
| CAS Registry Number |
55515-15-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H56 |
| InChI |
InChI=1S/C31H56/c1-7-8-12-24-17-19-30(5)25(21-24)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)31(28,6)20-18-29(26)30/h22-29H,7-21H2,1-6H3/t23-,24?,25?,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey |
DAPCDHHPGSSLAW-UCZVTASASA-N |
| Molecular Weight |
428.789 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC(CCCC)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00xr-0059000000-788050f361a62b490731 |
| Source of Spectrum |
AD-0-529-0 |
| Wiley ID |
1381051 |
