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3-Hydroxy-Polydeoxycholic Acid
[CAS# 115349-14-9]

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Identification
Name 3-Hydroxy-Polydeoxycholic Acid
Synonyms (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]Valeric Acid; 3-Hydroxy-Polydeoxycholic Acid; 3Alpha-Hydroxy-Polydeoxycholate
Molecular Structure CAS#: 115349-14-9, 3-Hydroxy-Polydeoxycholic Acid
Molecular Formula C24H40O4
Molecular Weight 392.58
CAS Registry Number 115349-14-9
SMILES [C@H]24[C@H]1[C@@]([C@@H]([C@@H](CCC(O)=O)C)CC1)([C@@H](O)C[C@@H]2[C@@]3([C@@H](C[C@H](O)CC3)CC4)C)C
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
Properties
Density 1.1±0.1g/cm3 (Cal.)
Melting point 176°C (Expl.)
Boiling point 547.1±35.0°C at 760 mmHg (Cal.)
Flash point 298.8±22.4°C (Cal.)
References
(1) S. Candeloro De Sanctis, V. M. Coiro, F. Mazza and G. Pochetti. The inclusion compound of deoxycholic acid with (-)-camphor: a structural and energetic study, Acta Cryst. (1995). B51, 81-89 
Market Analysis Reports
List of Reports Available for 3-Hydroxy-Polydeoxycholic Acid
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