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Apocholic Acid
[CAS# 641-81-6]

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Identification
Name Apocholic Acid
Synonyms (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; 3-Alpha,12-Alpha-Dihydroxy-5-Beta-Chol-8(14)-En-24-Oic Acid; 4-10-00-01817 (Beilstein Handbook Reference)
Molecular Structure CAS#: 641-81-6, Apocholic Acid
Molecular Formula C24H38O4
Molecular Weight 390.56
CAS Registry Number 641-81-6
SMILES [C@@H]13[C@@]4([C@H](CCC1=C2[C@@]([C@H](CC2)[C@@H](CCC(=O)O)C)([C@@H](O)C3)C)C[C@H](O)CC4)C
InChI 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
InChIKey XWJTYEGVQBFZHI-IMPNNSMHSA-N
Properties
Density 1.171g/cm3 (Cal.)
Boiling point 560.49°C at 760 mmHg (Cal.)
Flash point 306.828°C (Cal.)
Market Analysis Reports
List of Reports Available for Apocholic Acid
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