CAS
80-91-1 Purity
95%
80-91-1 Purity
95%
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5β-Cholanic acid-3α,7α,12α-triol
CAS
81-25-4
Catalog Number
ACM81254
Category
Steroidal Compounds
Molecular Weight
408.57
Molecular Formula
C24H40O5
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Specification
Synonyms
CHOLATE; Cholic acd; CHOLALIC ACID; AHR 3053-13C3; Cholic&Cyclosphorine; CHOLALIN; Cholic acid;
IUPAC Name
(4R)-4-[(3R,5S,7R,8R,9S,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]pentanoicacid
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI Key
BHQCQFFYRZLCQQ-OELDTZBJSA-N
Boiling Point
545ºC
Melting Point
197-202ºC
Flash Point
321ºC
Density
1.184g/cm³
Appearance
white to off-white crystalline powder
EC Number
201-337-8
Exact Mass
408.28800
Hazard Statements
Xi
Safety Description
S24/25
Stability
Stable under normal temperatures and pressures.
WGK Germany
2
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