| SpectraBase Spectrum ID |
6pdrVmsLPsq |
| Name |
5.alpha.-Cholestan-19-oic acid, 2.alpha.-hydroxy-, acetate |
| Alternate Name(s) |
(2alpha,5alpha)-2-(acetyloxy)cholestan-19-oic acid
2.alpha.-acetoxy-19-carboxy-5.alpha.-cholestane |
| CAS Registry Number |
28809-58-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-18(2)7-6-8-19(3)24-13-14-25-23-12-10-21-9-11-22(33-20(4)30)17-29(21,27(31)32)26(23)15-16-28(24,25)5/h18-19,21-26H,6-17H2,1-5H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,26+,28-,29-/m1/s1 |
| InChIKey |
GIRMIFFACUDSGC-FKTRVLNHSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
OC([C@]12[C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC[C@](OC(=O)C)(C1)[H])[H])[H])=O |
| SPLASH |
splash10-0udi-0002900000-7484b2b7cb41cb1cb1cb |
| Source of Spectrum |
O-4-379-12 |
| Wiley ID |
1390615 |
