| SpectraBase Spectrum ID |
GRL3hcRS0QC |
| Name |
5.beta.-Cholestane-4.beta.,5-diol, 4-acetate |
| Alternate Name(s) |
Cholestane-4,5-diol, 4-acetate, (4.beta.,5.beta.)-
(4beta,5beta)-5-hydroxycholestan-4-yl acetate
4.beta.-monoacetate derivative of Caprostane-4.beta.-5.beta.-diol |
| CAS Registry Number |
5748-92-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O3 |
| InChI |
InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey |
SXKZQQLEAKYPEY-LJQPPVSJSA-N |
| Molecular Weight |
446.716 g/mol |
| SMILES |
O[C@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC[C@@]1(OC(=O)C)[H])C |
| SPLASH |
splash10-001r-0039100000-36009a5821abd51c881a |
| Source of Spectrum |
AH-106-692-12 |
| Wiley ID |
1386815 |
