SpectraBase Spectrum ID |
Ec23oT4Qx0c |
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 |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)CCCC |
SPLASH |
splash10-004i-9020300000-bc0f5b18fdeeade41985 |
Source of Spectrum |
JX-2015-6-234 |
Wiley ID |
1727780 |