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

Modify Date: 2024-01-30 12:54:08

Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)- structure	Common Name	Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)-
	CAS Number	641-81-6	Molecular Weight	390.56
	Density	1.17g/cm3	Boiling Point	560.5ºC at 760 mmHg
	Molecular Formula	C₂₄H₃₈O₄	Melting Point	175-176ºC(lit.)
	MSDS	N/A	Flash Point	306.8ºC

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

Apocholic acid, a Bile acid, is an endogenous metabolite[1].

Name	(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonym	More Synonyms

Description	Apocholic acid, a Bile acid, is an endogenous metabolite[1].
Related Catalog	Research Areas >> Metabolic Disease
References	[1]. Liqing He, et al. Metabolic Profiling of Bile Acids in the Urine of Patients with Alcohol-Associated Liver Disease. Hepatol Commun. 2021 Jan 20;5(5):798-811.

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

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

WGK Germany	3
RTECS	FZ5075000

Precursor 10
CAS#:81-25-4 cholic acid CAS#:439696-06-7 12α-hydroxy-3α-... CAS#:64164-27-8 methyl 3α,12α-d... CAS#:7443-91-6 Cholan-24-oic a...
CAS#:64-19-7 acetic acid CAS#:5435-44-9 N-(1-ethoxycarb... CAS#:79-14-1 Glycolic acid CAS#:67-66-3 Chloroform
CAS#:56-23-5 Carbon tetrachloride CAS#:7664-93-9 Sulfuric acid
DownStream 0

Apocholic acid

a-apocholic acid

Apocholsaeure

acide apocholique