(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
[CAS# 4725-24-0]

Identification

• Name: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• Synonyms: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 4725-24-0
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(CO)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
• InChIKey: RXMHNAKZMGJANZ-DTTSCKGMSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 552.622°C at 760 mmHg (Cal.)
• Flash point: 232.641°C (Cal.)