3-Oxo-5β-cholanoic acid

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Names

[ CAS No. ]:
1553-56-6

[ Name ]:
3-Oxo-5β-cholanoic acid

[Synonym ]:
3-oxo-5beta-cholanic acid
3-oxocholanic acid
DEHYDROLITHOCHOLIC ACID

Chemical & Physical Properties

[ Density]:
1.069 g/cm3

[ Boiling Point ]:
509.3ºC

[ Molecular Formula ]:
C24H38O3

[ Molecular Weight ]:
374.55700

[ Flash Point ]:
275.9ºC

[ Exact Mass ]:
374.28200

[ PSA ]:
54.37000

[ LogP ]:
5.71530

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.52

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2281400
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3-oxo-
CAS REGISTRY NUMBER :
1553-56-6
LAST UPDATED :
199410
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H38-O3
MOLECULAR WEIGHT :
374.62

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

Synthetic Route

Precursor & DownStream

Precursor

  • Lithocholic acid
  • 3-oxo-4,22-choladienoic acid ethyl ester
  • cholic acid
  • Dehydrocholic acid
  • methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
  • 7,12-dioxo-3,3-ethylenedioxy-5β-cholanic acid

DownStream

  • Lithocholic acid

Related Compounds

  • 4β-bromo-7α,12α-formyloxy-3-oxo-5β-cholanoic acid
  • 3-Oxo-5β-24-cholanoic acid methyl ester
  • 3-​Oxocholic acid
  • 3α-acetoxy-12-oxo-5β-cholanoic acid-(24)
  • 3-Oxo-5β-androstane-17β-carboxylic acid methyl ester
  • 3-oxo-5β-androst-1-ene-17β-carboxylic acid methyl ester