(3R,5S,7R,8S,9S,10S,12S,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-3,7,12-Triol
[CAS# 6127-75-9]

Identification

• Name: (3R,5S,7R,8S,9S,10S,12S,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-3,7,12-Triol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,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-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,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-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₅
• Molecular Weight: 452.67
• CAS Registry Number: 6127-75-9
• SMILES: [C@]24([C@H]([C@@H]1[C@@H](C[C@H]3[C@@]([C@H]1C[C@@H]2O)(CC[C@@H](O)C3)C)O)CC[C@@H]4[C@@H](CCCC(O)(CO)C)C)C
• InChI: 1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
• InChIKey: XZDHXPDYLPEFQI-FIMPYCPFSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 614.822°C at 760 mmHg (Cal.)
• Flash point: 260.129°C (Cal.)