(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-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-3,7,12-Triol
[CAS# 58580-61-3]

Identification

• Name: (3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-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-3,7,12-Triol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4S)-4,5-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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4S)-4,5-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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-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-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₅
• Molecular Weight: 452.67
• CAS Registry Number: 58580-61-3
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@@H](CC2)O)C)C[C@@H]3O)CC[C@@H]4[C@@H](CC[C@@H](C(O)(C)C)O)C)C
• InChI: 1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
• InChIKey: NHPWQASMMFUHIZ-YBMOUMCLSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 610.492°C at 760 mmHg (Cal.)
• Flash point: 257.986°C (Cal.)