(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-Dihydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,6,7-Triol
[CAS# 114882-48-3]

Identification

• Name: (3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-Dihydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,6,7-Triol
• Synonyms: (3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5,6-Dihydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,6,7-Triol; (3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5,6-Dihydroxy-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-3,6,7-Triol; (3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-Dihydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,6,7-Triol
• Molecular Formula: C₂₇H₄₈O₅
• Molecular Weight: 452.67
• CAS Registry Number: 114882-48-3
• SMILES: [C@H]13[C@@H]([C@@]2([C@H]([C@H](O)[C@H]1O)C[C@H](O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(O)(CO)C)C)C
• InChI: 1S/C27H48O5/c1-16(6-5-11-25(2,32)15-28)18-7-8-19-22-20(10-13-26(18,19)3)27(4)12-9-17(29)14-21(27)23(30)24(22)31/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23+,24+,25?,26-,27-/m1/s1
• InChIKey: WLAXYIXLDQTVJE-JGXBBTQFSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 598.389°C at 760 mmHg (Cal.)
• Flash point: 251.969°C (Cal.)