(8S,9R,13R,16R,17R)-17-Acetyl-3,16-Dihydroxy-4,9,13,14-Tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-7,8,12,15,16,17-Hexahydro-6H-Cyclopenta[a]Phenanthren-11-One
[CAS# 151703-10-5]

Identification

• Name: (8S,9R,13R,16R,17R)-17-Acetyl-3,16-Dihydroxy-4,9,13,14-Tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-7,8,12,15,16,17-Hexahydro-6H-Cyclopenta[a]Phenanthren-11-One
• Synonyms: (8S,9R,13R,16R,17R)-17-Acetyl-3,16-Dihydroxy-4,9,13,14-Tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-7,8,12,15,16,17-Hexahydro-6H-Cyclopenta[A]Phenanthren-11-One; (8S,9R,13R,16R,17R)-17-Acetyl-3,16-Dihydroxy-4,9,13,14-Tetramethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-7,8,12,15,16,17-Hexahydro-6H-Cyclopenta[A]Phenanthren-11-One; (8S,9R,13R,16R,17R)-17-Acetyl-3,16-Dihydroxy-4,9,13,14-Tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-7,8,12,15,16,17-Hexahydro-6H-Cyclopenta[A]Phenanthren-11-One
• Molecular Formula: C₂₉H₄₀O₁₀
• Molecular Weight: 548.63
• CAS Registry Number: 151703-10-5
• SMILES: [C@H]23C1([C@@]([C@H]([C@H](O)C1)C(=O)C)(CC(=O)[C@]2(C4=C(CC3)C(=C(O)C(=C4)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C)C)C)C
• InChI: 1S/C29H40O10/c1-12-14-6-7-19-27(3)9-16(32)21(13(2)31)28(27,4)10-20(33)29(19,5)15(14)8-17(22(12)34)38-26-25(37)24(36)23(35)18(11-30)39-26/h8,16,18-19,21,23-26,30,32,34-37H,6-7,9-11H2,1-5H3/t16-,18-,19+,21+,23-,24+,25-,26-,27?,28-,29+/m1/s1
• InChIKey: FKNMUGKCXFULAT-XBFFBVMRSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 764.026°C at 760 mmHg (Cal.)
• Flash point: 249.091°C (Cal.)