Structural formula of Methyl Chenodeoxycholate

Methyl Chenodeoxycholate

Product number: 65-1006
CAS number: 3057-04-3
Synonyms: 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-, methyl ester, 5β-Cholanic acid, 3α,7α-dihydroxy-, methyl ester, Methyl (3α,5β,7α)-3,7-dihydroxycholan-24-oate, Methyl 3α,7α-dihydroxy-5β-cholanoate, Methyl chenodeoxycholate, Methyl 3α,7α-dihydroxy-5β-cholan-24-oate, Chenodeoxycholic acid methyl ester

Identifiers

CAS Index Name: Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7α)-
Molecular formula: C25H42O4
Molecular weight: 406.6
Smiles: O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric Smiles: CC12C(C3(C(C4(C)C(CC3O)(CC(O)CC4)[H])(CC1)[H])[H])(CCC2(C(CCC(OC)=O)C)[H])[H]
InChI: InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey: InChIKey=GRQROVWZGGDYSW-IFJDUOSNSA-N

Product information

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

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65-1006-9Methyl Chenodeoxycholate - 100 mg177.00 €