(3S,5S,9R,10S,13R,15R,17R)-17-[(2R,6R)-7-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,15-Diol
[CAS# 142533-06-0]

Identification

• Name: (3S,5S,9R,10S,13R,15R,17R)-17-[(2R,6R)-7-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,15-Diol
• Synonyms: (3S,5S,9R,10S,13R,15R,17R)-17-[(1R,5R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,15-Diol; (3S,5S,9R,10S,13R,15R,17R)-17-[(1R,5R)-6-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,15-Diol; (3S,5S,9R,10S,13R,15R,17R)-17-[(2R,6R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,15-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 142533-06-0
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](C[C@H]2O)[C@@H](CCC[C@H](CO)C)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C27H46O3/c1-17(16-28)6-5-7-18(2)23-15-24(30)25-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h17-20,22-24,28-30H,5-16H2,1-4H3/t17-,18-,19+,20+,22+,23-,24-,26+,27-/m1/s1
• InChIKey: AEICTKLHPYUJKJ-FUCZZUMBSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 551.977°C at 760 mmHg (Cal.)
• Flash point: 232.31°C (Cal.)