(2R,3R,10S,12S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-Methyl-Heptan- 2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-2,3,12-Triol
[CAS# 64971-22-8]

Identification

• Name: (2R,3R,10S,12S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-Methyl-Heptan- 2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-2,3,12-Triol
• Synonyms: (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol; (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethylhexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol; (2R,3R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-Methyl-Heptan-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol
• Molecular Formula: C₃₀H₅₂O₅
• Molecular Weight: 492.74
• CAS Registry Number: 64971-22-8
• SMILES: [C@]34(C2=C([C@@]1(CC[C@@H]([C@]1([C@H](C2)O)C)[C@@H](CC[C@H](C(O)(C)C)O)C)C)CCC3C(C)(C)[C@H]([C@@H](C4)O)O)C
• InChI: 1S/C30H52O5/c1-17(9-12-23(32)27(4,5)35)18-13-14-29(7)19-10-11-22-26(2,3)25(34)21(31)16-28(22,6)20(19)15-24(33)30(18,29)8/h17-18,21-25,31-35H,9-16H2,1-8H3/t17-,18-,21-,22?,23-,24+,25+,28-,29+,30+/m1/s1
• InChIKey: OEIWNDFVSHLYGG-LKRQAXFGSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 612.291°C at 760 mmHg (Cal.)
• Flash point: 249.854°C (Cal.)