Home > Chiral Compounds> (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

(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

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Origin: China

Cas No: 641-81-6

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

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Product Description

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CAS No.: 641-81-6 Formula: C24H38O4 Molecular Weight: 390.55600

Description

Apocholic acid is an unsaturated bile acid first characterized in the 1920s.
The salts and esters of apocholic acid are known as apocholates.

Basic Info

Chemical 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
Synonyms	Apocholsaeure; a-apocholic acid; Apocholic acid; acide apocholique;
CAS No.	641-81-6
Molecular Formula	C24H38O4
Molecular Weight	390.55600
PSA	77.76000
LogP	4.54210

Properties

Density	1.17g/cm3
Boiling Point	560.5ºC at 760 mmHg
Melting Point	175-176ºC(lit.)
Flash Point	306.8ºC
Refractive Index	1.567

Safety Info

RTECS	FZ5075000
WGK Germany	3

Synthesis Route

Cholic acid→(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
12α-hydroxy-3α-acetoxy-5β-cholen-(7)-oic acid-(24)-methyl ester→(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
methyl 3α,12α-dihydroxy-5β-chol-14-en-24-oate→(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

Toxicity

Exposure Route	Type of Test	Species Observed	Dose/Duration	Toxic Effects
Subcutaneous	TDLo - Lowest published toxic dose	Rodent - mouse	200 mg/kg/13W-I	1.Tumorigenic-equivocal tumorigenic agent by RTECS criteria 2.Tumorigenic-tumors at site of application

Precursor

methyl 3α,12α-dihydroxy-5β-chol-14-en-24-oate
Cholic acid
methyl 4-(3-acetyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
acetic acid

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