| SpectraBase Spectrum ID |
BsqpGj2jjS2 |
| Name |
3,12-DIHYDROXYCHOLAN-24-OIC ACID |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16?,17+,18-,19+,20+,21?,23+,24-/m1/s1 |
| InChIKey |
KXGVEGMKQFWNSR-LBBQMCJKSA-N |
| Molecular Weight |
392.580 g/mol |
| Nominal Mass |
392 u |
| Number of Peaks |
161 |
| SMILES |
OC(CC[C@]([C@@]1([C@]2(C(C[C@@]3([C@]4(CCC(CC4CC[C@]3([C@@]2(CC1)[H])[H])O)C)[H])O)C)[H])(C)[H])=O |
| SPLASH |
splash10-0a4i-9642000000-9241f6321af47d4c03de |
| Source File Reference |
LMCM-43070-070M |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
DESOXYCHOLIC ACID
(4R)-4-((8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| Wiley ID |
4_83 |
