| SpectraBase Spectrum ID |
LPHvAMyu7m8 |
| Name |
6-thia-5.beta.-cholestane |
| Alternate Name(s) |
(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethylhexadecahydroindeno[4,5-c][1]benzothiopyran |
| CAS Registry Number |
96093-89-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H46S |
| InChI |
InChI=1S/C26H46S/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-27-24-11-6-7-15-26(24,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-/m1/s1 |
| InChIKey |
AQPSQNVCEVIAOP-XHGRUUOTSA-N |
| Molecular Weight |
390.714 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CS[C@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00di-0009000000-519d2e67256811cab162 |
| Source of Spectrum |
J-55-2174-29 |
| Wiley ID |
1365176 |
