| SpectraBase Spectrum ID |
K62mZm3ywXC |
| Name |
3.beta.-Acetyl-3.alpha.-hydroxy-5.alpha.-cholestane |
| Alternate Name(s) |
1-[(3alpha,5alpha)-3-hydroxycholestan-3-yl]ethanone |
| CAS Registry Number |
68550-60-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-22-18-29(31,21(4)30)17-16-27(22,5)26(23)14-15-28(24,25)6/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey |
KHPNUKLSKGEWAZ-MEBFPAKGSA-N |
| Molecular Weight |
430.717 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)C(=O)C |
| SPLASH |
splash10-000i-0009000000-015c4bd25ec63d203134 |
| Source of Spectrum |
J-44-708-0 |
| Wiley ID |
1381823 |
