| SpectraBase Spectrum ID |
Fl18aqwus2b |
| Name |
Chol-4-en-24-oic acid, 12-hydroxy-3-oxo-, methyl ester, (12.alpha.)- |
| CAS Registry Number |
19684-72-1 |
| Copyright |
Copyright © 2020-2024 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/h13,15,18-22,27H,5-12,14H2,1-4H3/t15-,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey |
ULGXCWPAWSIRQE-ZAJRCTALSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(C1)[H])(CCC(=O)C4)C)[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-00xr-0964000000-a8c9f4ff24f2d7ef7c9b |
| Source of Spectrum |
F-37-2513-0 |
| Synonyms |
Chol-4-en-24-oic acid, 12.alpha.-hydroxy-3-oxo-, methyl ester
Methyl (12alpha)-12-hydroxy-3-oxochol-4-en-24-oate
Methylester of 12.alpha.-hydroxychol-4-en-3-one-24-oic acid |
| Wiley ID |
1370553 |
