Apocholic acid

Catalog NumberBL-M000484
CAS Number641-81-6
DescriptionApocholic Acid is originally produced from Cholic Acid which is a choleretic produced by and isolated from liver cells.
IUPAC 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
Synonyms3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid; 5β,8(14)-Cholen-24-oic acid-3α,12α-diol; 3α,12α-Dihydroxy-5β,8(14)-cholen-24-oic acid
Molecular Weight390.56
Molecular FormulaC24H38O4
Boiling Point435.74°C at 760 mmHg
Melting Point175-176°C(lit.)
Purity>99%
Density1.0101 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 73.81%, H 9.81%, O 16.39%
Canonical SMILESCC(CCC(=O)O)C1CCC2=C3CCC4CC(CCC4(C3CC(C12C)O)C)O
InChIInChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1
InChI KeyXWJTYEGVQBFZHI-IMPNNSMHSA-N

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