Cholan-24-oic acid,3,12-dioxo-, (5b)-

Modify Date: 2025-08-25 20:21:01

Cholan-24-oic acid,3,12-dioxo-, (5b)- Structure
Cholan-24-oic acid,3,12-dioxo-, (5b)- structure
Common Name Cholan-24-oic acid,3,12-dioxo-, (5b)-
CAS Number 2958-05-6 Molecular Weight 388.54000
Density 1.12g/cm3 Boiling Point 544.7ºC at 760mmHg
Molecular Formula C24H36O4 Melting Point N/A
MSDS N/A Flash Point 297.3ºC

 Names

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]pentanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.12g/cm3
Boiling Point 544.7ºC at 760mmHg
Molecular Formula C24H36O4
Molecular Weight 388.54000
Flash Point 297.3ºC
Exact Mass 388.26100
PSA 71.44000
LogP 4.89430
Vapour Pressure 2.64E-13mmHg at 25°C
Index of Refraction 1.527
InChIKey XNTYYYINMGRBQW-ZEZONBOOSA-N
SMILES CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2256000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3,12-dioxo-
CAS REGISTRY NUMBER :
2958-05-6
BEILSTEIN REFERENCE NO. :
3223360
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H36-O4
MOLECULAR WEIGHT :
388.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
250 ug/disc
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 4,1179,1983

 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
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