| SpectraBase Spectrum ID |
8mUHm0GQUHQ |
| Name |
Methyl 5.beta.-hydroxy-3-oxocholan-24-oate |
| Appearance |
Colorless amorphous solids |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-16(5-8-22(27)29-4)19-6-7-20-18-10-14-25(28)15-17(26)9-13-24(25,3)21(18)11-12-23(19,20)2/h16,18-21,28H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,23-,24-,25+/m1/s1 |
| InChIKey |
QLWBHSKDOLBALQ-KMGSALQOSA-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@@]12[C@](CCC(C2)=O)([C@@]2([C@@](CC1)([C@]1([C@](CC2)([C@](CC1)([C@@](CCC(OC)=O)(C)[H])[H])C)[H])[H])[H])C |
| SPLASH |
splash10-004i-0092000000-a9bf33dcd6450cc01917 |
| Source of Spectrum |
ARK-2003-177-7 (DOI: 10.3998/ark.5550190.0004.817) |
| Wiley ID |
1900055 |
