641-81-6

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641-81-6 Structure

Identification	Back 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 Properties	Back 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)

Hazard Information	Back 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 Detail	Back 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

641-81-6 suppliers list

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