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3,7,12-Trihydroxycoprostane
[CAS# 547-96-6]

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CAS#: 547-96-6
Product: 3,7,12-Trihydroxycoprostane
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Identification
Name 3,7,12-Trihydroxycoprostane
Synonyms (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; Chebi:16496; 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholestane
Molecular Structure CAS#: 547-96-6, 3,7,12-Trihydroxycoprostane
Molecular Formula C27H48O3
Molecular Weight 420.67
CAS Registry Number 547-96-6
SMILES [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)([C@@H](O)C[C@@H]2[C@@]4([C@H](C[C@H]3O)C[C@H](O)CC4)C)C
InChI 1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RIVQQZVHIVNQFH-XJZYBRFWSA-N
Properties
Density 1.051g/cm3 (Cal.)
Boiling point 535.466°C at 760 mmHg (Cal.)
Flash point 222.78°C (Cal.)
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