CAS
333786-74-6 Purity
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333786-74-6 Purity
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3β-Cholic acid
CAS
3338-16-7
Catalog Number
ACM3338167
Category
Other Products
Molecular Weight
413.60
Molecular Formula
C24H40O5
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Specification
Synonyms
(3β,5β,7α,12α)-3,7,12-Trihydroxy-cholan-24-oic Acid; 3-Epicholic Acid; 3β,7α,12α-Trihydroxy-5β-cholanoic Acid;
IUPAC Name
(4R)-4-[(3S,5S,7R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI Key
BHQCQFFYRZLCQQ-YZMSNRQASA-N
Boiling Point
583.9ºC at 760 mmHg
Flash Point
321ºC
Density
1.184g/cm³
Exact Mass
408.28800
H-Bond Acceptor
5
H-Bond Donor
4
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