Deoxycholic Acid

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Catalog Number ACM83443
Product Name Deoxycholic Acid
CAS Number 83-44-3
Structure Deoxycholic Acid
IUPAC Name (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoic acid
Synonyms Choleic acid
Molecular Weight 392.58
Molecular Formula C24H40O4
Canonical SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Inchi InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N
Boiling Point 437.26 °C
Melting Point 171-174 °C(lit.)
Flash Point 9 °C
Purity 98%
Density 0.9985 g/cm³
Solubility Soluble in water
Appearance White to off-white solid
Storage Room temperature
Physical State Solid
Refractive Index 1.4460

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