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ChemicalBook--->CAS DataBase List--->641-81-6

641-81-6

641-81-6 Structure

641-81-6 Structure
IdentificationBack Directory
[Name]

APOCHOLIC ACID
[CAS]

641-81-6
[Synonyms]

APOCHOLIC ACID
alpha-apocholic acid
Apocholic acid (ACA)
8(14),5BETA-CHOLENIC-3ALPHA,12ALPHA-DIOL
3α,12α-dihydroxy-5β,8(14)-cholen-24-oic acid
3α,12α-Dihydroxy-5β-chol-8(14)-en-24-oic acid
5BETA,8(14)-CHOLEN-24-OIC ACID-3ALPHA,12ALPHA-DIOL
8(14), (5-BETA)-CHOLENIC ACID-3-ALPHA, 12-ALPHA-DIOL
5-BETA,18(14)-CHOLEN-24-OIC ACID-3-ALPHA,12-ALPHA-DIOL
3ALPHA,12ALPHA-DIHYDROXY-5BETA,8(14)-CHOLEN-24-OIC ACID
3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOL-8(14)EN-24-OIC ACID
Chol-8(14)-en-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
3-alpha,12-alpha-dihydroxy-5-beta-chol-8(14)-en-24-oicaci
3,12-dihydroxy-,(3-alpha,5-beta,12-alpha)-chol-8(14)-en-24-oicaci
3α,12α-Dihydroxy-5β,8(14)-cholen-24-oic acid, 3α,12α-Dihydroxy-5β-chol-8(14)en-24-oic acid, 5β,8(14)-Cholen-24-oic acid-3α,12α-diol
(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]valeric 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
[Molecular Formula]

C24H38O4
[MDL Number]

MFCD00003622
[MOL File]

641-81-6.mol
[Molecular Weight]

390.56
Chemical PropertiesBack Directory
[Melting point ]

175-176 °C(lit.)
[Boiling point ]

435.74°C (rough estimate)
[density ]

1.0101 (rough estimate)
[refractive index ]

1.4460 (estimate)
[pka]

4.75±0.10(Predicted)
[Water Solubility ]

0.8g/L(15 ºC)
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

FZ5075000
Hazard InformationBack Directory
[Uses]

Apocholic Acid which is derived from Cholic Acid (C432600), which is a choleretic produced by and isolated from liver cells.
[Definition]

ChEBI: Apocholic acid is a cholanoid.
[Safety Profile]

Questionable carcinogen withexperimental tumorigenic data. When heated todecomposition it emits acrid smoke and irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

APOCHOLIC ACID(641-81-6)MS
APOCHOLIC ACID(641-81-6)13CNMR
APOCHOLIC ACID(641-81-6)IR1
APOCHOLIC ACID(641-81-6)IR2
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