Methyl (5β,7α,12α)-7,12-dihydroxy-3-oxocholan-24-oate
CAS Registry Number®
14772-99-7
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CAS Name
Methyl (5β,7α,12α)-7,12-dihydroxy-3-oxocholan-24-oateMolecular Formula
C25H40O5Molecular Mass
420.58Cite this Page
Methyl (5β,7α,12α)-7,12-dihydroxy-3-oxocholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14772-99-7 (retrieved ) (CAS RN: 14772-99-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
170 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey
InChIKey=CIZOGAIBGCZRCL-PXOOZVEKSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(OC)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (5β,7α,12α)-
- 5β-Cholan-24-oic acid, 7α,12α-dihydroxy-3-oxo-, methyl ester
- 5β-Cholanic acid, 7α,12α-dihydroxy-3-oxo-, methyl ester
- Methyl (5β,7α,12α)-7,12-dihydroxy-3-oxocholan-24-oate
- Methyl 3-keto-7α,12α-dihydroxy-5β-cholanoate
