CAS
67696-78-0 Purity
95%
67696-78-0 Purity
95%
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5β-Cholanic acid-3,6-dione
CAS
6868-73-1
Catalog Number
ACM6868731
Category
Steroidal Compounds
Molecular Weight
388.54
Molecular Formula
C24H36O4
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Specification
Synonyms
3,6-DIKETOCHOLANIC ACID;5-BETA-CHOLANIC ACID-3,6-DIONE;3,6-dioxo-5-beta-cholan-24-oic acid;hyodehydrodeoxycholic acid
IUPAC Name
(4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C
InChI Key
AWINBLVINXVKTE-FSILYXOFSA-N
Boiling Point
544.7ºC at 760 mmHg
Flash Point
297.3ºC
Density
1.12g/cm³
Exact Mass
388.26100
H-Bond Acceptor
4
H-Bond Donor
1
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