Structural formula of Methyl Deoxycholate

Methyl Deoxycholate

Product number: 65-1004
CAS number: 3245-38-3
Synonyms: Methyl deoxycholate, Methyl 3α,12α-dihydroxy-5β-cholan-24-oate, Desoxycholic acid, methyl ester, Methyl 7-deoxycholate, 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-, methyl ester, NSC 22957, Methyl 3α,12α-dihydroxy-5β-cholanoate, Deoxycholic acid, methyl ester

Identifiers

CAS Index Name: Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-
Molecular formula: C25H42O4
Molecular weight: 406.6
Smiles: O=C(OC)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: CC12C(C3(C(C4(C)C(CC3)(CC(O)CC4)[H])(CC1O)[H])[H])(CCC2(C(CCC(OC)=O)C)[H])[H]
InChI: InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKey: InChIKey=ZHUOOEGSSFNTNP-JMKDMENQSA-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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65-1004-13Methyl Deoxycholate - 1 g317.00 €
65-1004-9Methyl Deoxycholate - 100 mg107.00 €