CAS Registry Number®
83-49-8
CAS Name
Hyodeoxycholic acid
Molecular Formula
C24H40O4
Molecular Mass
392.57
Compound Properties
-
Melting Point (1)
198.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/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=DGABKXLVXPYZII-SIBKNCMHSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,6-dihydroxy-, (3α,5β,6α)-
- 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-
- 5β-Cholanic acid, 3α,6α-dihydroxy-
- (3α,5β,6α)-3,6-Dihydroxycholan-24-oic acid
- 3α,6α-Dihydroxy-5β-cholanoic acid
- 3α,6α-Dihydroxy-5β-cholanic acid
- Hyodeoxycholic acid
- Hyodesoxycholic acid
- α-Hyodeoxycholic acid
- 3α,6α-Dihydroxy-5β-cholan-24-oate
- 6α-Hydroxylithocholic acid
- 3α,6α-Dihydroxy-5β-cholan-24-oic acid
- 7-Deoxyhyocholic acid
- Iodeoxycholic acid
- NSC 60672
