| SpectraBase Spectrum ID |
BzjzUPdauGF |
| Name |
Chol-5-en-24-oic acid, 12-hydroxy-3-oxo-, methyl ester, (12.alpha.)- |
| CAS Registry Number |
69633-06-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h6,15,18-22,27H,5,7-14H2,1-4H3/t15-,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey |
ZEACQEWECFMIBI-ZAJRCTALSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(C1)[H])(CCC(=O)C4)C)[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-00di-2592000000-47ead7813e791826f6d2 |
| Source of Spectrum |
W5-33720-31816-31816 |
| Synonyms |
Methyl (12alpha)-12-hydroxy-3-oxochol-5-en-24-oate |
| Wiley ID |
1370552 |
