3Alpha-hydroxy-5beta-cholan-24-oic acid N-[carboxymethyl]amide ethyl ester

CAS

100929-89-3

Catalog Number

ACM100929893

Category

Other Products

Molecular Weight

461.68

Molecular Formula

C₂₈H₄₇NO₄

MSDS COA Spec Sheet

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Specification

Synonyms

GLYCOLITHOCHOLIC ACID ETHYL ESTER;3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[CARBOXYMETHYL]AMIDE ETHYL ESTER;3α-hydroxy-5β-cholan-24-oic acid n-(carboxymethyl)amide ethyl ester

IUPAC Name

ethyl 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

Canonical SMILES

CCOC(=O)CNC(=O)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChI Key

JRXQPFBKHYDFPV-CUYCEIPOSA-N

Exact Mass

461.35100

H-Bond Acceptor

H-Bond Donor

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