CAS Registry Number®
434-13-9
CAS Name
Lithocholic acid
Molecular Formula
C24H40O3
Molecular Mass
376.57
Compound Properties
-
Melting Point (1)
184-186 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
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
InChIKey=SMEROWZSTRWXGI-HVATVPOCSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-hydroxy-, (3α,5β)-
- 5β-Cholan-24-oic acid, 3α-hydroxy-
- 5β-Cholanic acid, 3α-hydroxy-
- (3α,5β)-3-Hydroxycholan-24-oic acid
- 3α-Hydroxycholanic acid
- 3α-Hydroxy-5β-cholanic acid
- Lithocholic acid
- 3α-Hydroxy-5β-cholanoic acid
- 3α-Hydroxy-5β-cholan-24-oate
- 3-Hydroxycholan-24-oic acid
- 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol
- 3α-Hydroxy-5β-cholan-24-oic acid
- NSC 683770
- MeSH ID: D008095
Deleted or Replaced CAS Registry Numbers
2360921-71-5, 2892315-65-8
