(3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-Hydroxy-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-3,7,12-Triol
[CAS# 18866-87-0]

Identification

• Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-Hydroxy-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-3,7,12-Triol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(1R)-5-Hydroxy-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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(1R)-5-Hydroxy-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; (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-Hydroxy-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-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₄
• Molecular Weight: 436.67
• CAS Registry Number: 18866-87-0
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CCC([C@@H](CCCC(C)(C)O)C)[C@@]2(C)[C@H](C[C@H]34)O)O)C)O
• InChI: 1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19?,20+,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: NTIXPPFPXLYJCT-RUYUEJGQSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 568.418°C at 760 mmHg (Cal.)
• Flash point: 238.281°C (Cal.)