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

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Names

[ CAS No. ]:
2958-05-6

[ Name ]:
Cholan-24-oic acid,3,12-dioxo-, (5b)-

[Synonym ]:
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

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

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

Precursor & DownStream

Precursor

DownStream

  • Deoxycholic acid
  • (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
  • 12-Ketodeoxycholic acid

Related Compounds

  • Cholan-24-oic acid,3,12-dioxo-, methyl ester, (5b)-
  • Cholan-24-oic acid,3,12-bis(formyloxy)-, (3a,5b,12a)-
  • Cholan-24-oic acid,3,12-dihydroxy-, methyl ester, (3a,5b,12a)-
  • Cholan-24-oic acid,3,12-dihydroxy-, (3a,12a)-
  • Deoxycholic acid
  • 7,12 Diketolithocholic Acid Methyl Ester
  • Tert-butyl 3-(butan-2-yloxy)-3-(iodomethyl)piperidine-1-carboxylate
  • [1-(1,3,4-Thiadiazol-2-yl)azetidin-2-yl]methanamine
  • 2-{[(Benzyloxy)carbonyl]amino}-5-(trifluoromethoxy)pentanoic acid
  • 2-{[(Tert-butoxy)carbonyl]amino}-7-cyclopropylheptanoic acid
  • 2-(2-Hydroxycyclopentyl)-2-formamidoacetic acid
  • (2R)-2-amino-3-(4,4-difluorooxolan-2-yl)propanoic acid
  • rac-2-{[(tert-butoxy)carbonyl]amino}-2-[(3R,4R)-4-hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl]acetic acid
  • 2-Amino-5-chloro-5,5-difluoropentanoic acid
  • 2-{[(Benzyloxy)carbonyl]amino}-2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
  • 2-Amino-4-(1,2-thiazol-5-yl)butanoic acid
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