Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)-

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Names

[ CAS No. ]:
641-81-6

[ Name ]:
Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)-

[Synonym ]:
Apocholic acid
a-apocholic acid
Apocholsaeure
acide apocholique

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
560.5ºC at 760 mmHg

[ Melting Point ]:
175-176ºC(lit.)

[ Molecular Formula ]:
C24H38O4

[ Molecular Weight ]:
390.56

[ Flash Point ]:
306.8ºC

[ Exact Mass ]:
390.27700

[ PSA ]:
77.76000

[ LogP ]:
4.54210

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ5075000
CHEMICAL NAME :
5-beta-Chol-8(14)-en-24-oic acid, 3-alpha,12-alpha-dihydroxy-
CAS REGISTRY NUMBER :
641-81-6
BEILSTEIN REFERENCE NO. :
3222755
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H38-O4
MOLECULAR WEIGHT :
390.62
WISWESSER LINE NOTATION :
L E5 B666TJ A1 DQ E1 FY1&2VQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg/13W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 190,1007,1961

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
FZ5075000

Synthetic Route

Precursor & DownStream

Precursor

  • cholic acid
  • 12α-hydroxy-3α-acetoxy-5β-cholen-(7)-oic acid-(24)-methyl ester
  • methyl 3α,12α-dihydroxy-5β-chol-14-en-24-oate
  • Cholan-24-oic acid,3-(acetyloxy)-7,12-dihydroxy-, methyl ester, (3a,5b,7a,12a)- (9CI)
  • acetic acid
  • N-(1-ethoxycarbonyl-propen-2-yl)urea
  • Glycolic acid
  • Chloroform
  • Carbon tetrachloride
  • Sulfuric acid

DownStream