(3a,5b,7a,12a)-23-Carboxy-7,12-Dihydroxy-24-norcholan-3-yl b-d-glucopyranosiduronic acid

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Catalog Number
ACM76060225
Product Name
(3a,5b,7a,12a)-23-Carboxy-7,12-Dihydroxy-24-norcholan-3-yl b-d-glucopyranosiduronic acid
Structure
Structure
CAS
76060-22-5
Category
Heterocyclic Organic Compound
Synonyms
SCHEMBL1656546, 76060-22-5
IUPAC Name
(2S,3S,4S,5R)-6-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight
584.695520 [g/mol]
Molecular Formula
C30H48O11
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)O)O)C
InChI Key
RBLDVEUUCHVWMW-FZKAIOFRSA-N
H-Bond Acceptor
11
H-Bond Donor
7
MSDS
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COA
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Spec Sheet
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