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Structure

5β-Cholanic acid 3,7-dione methyl ester

CAS
7753-72-2
Catalog Number
ACM7753722
Category
Steroidal Compounds
Molecular Weight
402.57
Molecular Formula
C25H38O4

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Specification

Synonyms
SureCN3219278, 5|A-Cholanic acid 3,7-dione methyl ester, 7753-72-2
IUPAC Name
methyl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Canonical SMILES
CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C
InChI Key
UZRRNRRCPZZPNY-AEVHJRAPSA-N
Exact Mass
402.27700
H-Bond Acceptor
4
H-Bond Donor
0
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