Structural formula of Methyl Cholate

Methyl Cholate

Product number: 65-1002
CAS number: 1448-36-8
Synonyms: Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-oate, Methyl 3α,7α,12α-trihydroxy-5β-cholanoate, NSC 126794, Methyl cholate, Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-ate, Cholic acid, methyl ester

Identifiers

CAS Index Name: Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3α,5β,7α,12α)-
Molecular formula: C25H42O5
Molecular weight: 422.6
Smiles: O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: OC1C2(C3(C(C)(C(C(CCC(OC)=O)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(CC(O)CC4)[H])[H])[H])[H]
InChI: InChI=1S/C25H42O5/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/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey: InChIKey=DLYVTEULDNMQAR-SRNOMOOLSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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65-1002-13Methyl Cholate - 1 g212.00 €
65-1002-9Methyl Cholate - 100 mg79.00 €