CAS Registry Number®
81-25-4
CAS Name
Cholic acid
Molecular Formula
C24H40O5
Molecular Mass
408.57
Compound Properties
-
Melting Point (1)
198 °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/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
InChIKey=BHQCQFFYRZLCQQ-OELDTZBJSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
- Cholic acid
- 5β-Cholanic acid, 3α,7α,12α-trihydroxy-
- (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid
- Cholalin
- 17β-[1-Methyl-3-carboxypropyl]etiocholane-3α,7α,12α-triol
- 3α,7α,12α-Trihydroxy-5β-cholanic acid
- 3α,7α,12α-Trihydroxy-5β-cholanoic acid
- 3α,7α,12α-Trihydroxycholanic acid
- 3α,7α,12α-Trihydroxy-β-cholanic acid
- 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid
- Colalin
- NSC-6135
- 5β-Cholic acid
- 5β-Cholanic acid-3α,7α,12α-triol
- Cholalic acid
- E 1000
- Cholbam
- Orphacol
- Kolbam
- MeSH ID: D002793
- MeSH ID: D019826
Deleted or Replaced CAS Registry Numbers
116-68-7, 10321-98-9, 134353-30-3, 728917-96-2, 732303-80-9, 882740-42-3, 889875-66-5, 904791-60-2, 2222145-69-7, 2599839-19-5
