(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-1,3-Diol
[CAS# 50392-32-0]

Identification

• Name: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-1,3-Diol
• Synonyms: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-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-1,3-Diol; (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-1,3-Diol; (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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-1,3-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 50392-32-0
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)C[C@@H]2O)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H46O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8,17,19-24,28-30H,6-7,9-16H2,1-5H3/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1
• InChIKey: WPCGHPRVQQXAMT-FDRPCONVSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 547.111°C at 760 mmHg (Cal.)
• Flash point: 229.812°C (Cal.)