CAS Registry Number®
83-44-3
CAS Name
Deoxycholic acid
Molecular Formula
C24H40O4
Molecular Mass
392.57
Compound Properties
-
Melting Point (1)
176-178 °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/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
InChIKey=KXGVEGMKQFWNSR-LLQZFEROSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
- 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-
- (3α,5β,12α)-3,12-Dihydroxycholan-24-oic acid
- Cholic acid, deoxy-
- Cholorebic
- Degalol
- Deoxycholatic acid
- Deoxycholic acid
- Desoxycholic acid
- 3α,12α-Dihydroxycholanic acid
- 3α,12α-Dihydroxy-5β-cholanoic acid
- Droxolan
- 17β-[1-Methyl-3-carboxypropyl]-etiocholane-3α,12α-diol
- 3α,12α-Dihydroxy-5β-cholanic acid
- Cholerebic
- Pyrochol
- Septochol
- 3α,12α-Dihydroxy-5β-cholan-24-oic acid
- 5β-Deoxycholic acid
- 5β-Cholanic acid-3α,12α-diol
- 7-Deoxycholic acid
- NSC 8797
- ATX 101
- Kybella
- MeSH ID: D003840
Deleted or Replaced CAS Registry Numbers
728917-93-9
