CAS
2919-66-6 Purity
99%
2919-66-6 Purity
99%
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5β-Cholanic acid-3,12-dione
CAS
2958-05-6
Catalog Number
ACM2958056
Category
Steroidal Compounds
Molecular Weight
388.54
Molecular Formula
C24H36O4
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Specification
Synonyms
3,12-Dioxo-5beta-cholanoic acid; 3,12-dioxo-7-deoxycholic acid; EINECS 220-982-6; Cholic acid,dehydrodeoxy; Dehydrodeoxycholic acid; 3,12-dioxo-cholanic acid; 3,12-dioxocholanoic acid; 3,12-Diketo-5beta-cholanic acid;
IUPAC Name
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C
InChI Key
XNTYYYINMGRBQW-ZEZONBOOSA-N
Boiling Point
544.7ºC at 760mmHg
Flash Point
297.3ºC
Density
1.12g/cm³
EC Number
220-982-6
Exact Mass
388.26100
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