| SpectraBase Spectrum ID |
6LGbnaWqWvd |
| Name |
Methyl 17.alpha.-hydroxy-3-oxocholan-24-oate |
| Appearance |
Non-crystalline substance |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-16(5-8-22(27)29-4)25(28)14-11-21-19-7-6-17-15-18(26)9-12-23(17,2)20(19)10-13-24(21,25)3/h16-17,19-21,28H,5-15H2,1-4H3/t16-,17-,19-,20+,21+,23+,24+,25+/m1/s1 |
| InChIKey |
KHYRTRPFHWWYND-JROMSPHFSA-N |
| Instrument Name |
JEOL JMS-Automass 150 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.817 |
| Molecular Weight |
404.591 g/mol |
| Reported Formula |
C25H40O4 |
| SMILES |
O[C@@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@]2([C@@]1(CCC(C2)=O)C)[H])[H])[H])C)[H])[C@@](CCC(OC)=O)(C)[H] |
| SPLASH |
splash10-000i-0093400000-202997e397e5d64060b0 |
| Source of Spectrum |
ARK-2003-177-8 (DOI: 10.3998/ark.5550190.0004.817) |
| Wiley ID |
1900056 |
