Glycodeoxycholic acid

Product number: 65-1009

CAS number: 360-65-6

Synonyms: Cholane, glycine deriv., Glycodeoxycholic acid, Glycodesoxycholic acid, 3α,12α-Dihydroxy-5β-cholanic acid-24-glycine [...], Glycyldeoxycholic acid, N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]glycine, Deoxyglycocholic acid, Deoxycholylglycine, ZINC 08837267, Glycine, N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-, Deoxycholic acid glycine conjugate, 5β-Cholan-24-amide, N-(carboxymethyl)-3α,12α-dihydroxy-

Identifiers

CAS Index Name: Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-

Molecular formula: C₂₆H₄₃NO₅

Molecular weight: 449.62

Smiles: O=C(O)CNC(=O)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(NCC(O)=O)=O)C)[H])[H]

InChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1

InChIKey: InChIKey=WVULKSPCQVQLCU-BUXLTGKBSA-N

Product information

Purity: >95%

Storage: Freezer

Supplied as: Neat

Physical state: Solid

Documentation: Certificate of Analysis

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