| SpectraBase Spectrum ID |
AorvqeYZAIp |
| Name |
CHOLAN-24-OIC ACID, 3-HYDROXY-, (3.ALPHA.,5.BETA.)- |
| CAS Registry Number |
434-13-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
376.297745145 u |
| Formula |
C24H40O3 |
| InChI |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
| InChIKey |
SMEROWZSTRWXGI-HVATVPOCSA-N |
| Molecular Weight |
376.581 g/mol |
| Nominal Mass |
376 u |
| Number of Peaks |
332 |
| SMILES |
OC(CC[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-0aor-9732000000-6741a5a8e70e0be460bd |
| Source File Reference |
LMCM-78863-190T |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(3-ALPHA,5-BETA)-3-HYDROXYCHOLAN-24-OIC ACID
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid |
| Wiley ID |
8_39879 |
