Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
CAS Registry Number®
3749-87-9
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CAS Name
Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oateMolecular Formula
C29H46O7Molecular Mass
506.67Cite this Page
Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3749-87-9 (retrieved ) (CAS RN: 3749-87-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
181 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
InChIKey
InChIKey=VKXXPYARELKQOY-CXFLVZIOSA-N
SMILES
O(C(C)=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)(C[C@H](OC(C)=O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C(C1)CC(OC(=O)C)C3C4CCC(C(C)CCC(=O)OC)C4(C)C(O)CC32)C
Other Names for this Substance
- Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-
- Cholic acid, methyl ester, 3,7-diacetate
- Methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
- Methyl 3,7-di-O-acetylcholate
- 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester
