Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate
CAS Registry Number®
2868-48-6
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CAS Name
Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oateMolecular Formula
C25H42O4Molecular Mass
406.60Cite this Page
Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2868-48-6 (retrieved ) (CAS RN: 2868-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
86 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
InChIKey
InChIKey=BWDRDVHYVJQWBO-QWXHOCAMSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(OC)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,6-dihydroxy-, methyl ester, (3α,5β,6α)-
- 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-, methyl ester
- 5β-Cholanic acid, 3α,6α-dihydroxy-, methyl ester
- Methyl (3α,5β,6α)-3,6-dihydroxycholan-24-oate
- Methyl 3α,6α-dihydroxy-5β-cholanate
