(6R)-6-[(1S)-1-Hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-Pentahydroxy-10,13-Dimethyl-1-Oxo-6,7,8,9,11,12,15,16-Octahydro-4H-Cyclopenta[a]Phenanthren-17-Yl]Ethyl]-3,4-Dimethyl-5,6-Dihydropyran-2-One
[CAS# 78285-97-9]

Identification

• Name: (6R)-6-[(1S)-1-Hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-Pentahydroxy-10,13-Dimethyl-1-Oxo-6,7,8,9,11,12,15,16-Octahydro-4H-Cyclopenta[a]Phenanthren-17-Yl]Ethyl]-3,4-Dimethyl-5,6-Dihydropyran-2-One
• Synonyms: (6R)-6-[(1S)-1-Hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-Pentahydroxy-1-Keto-10,13-Dimethyl-6,7,8,9,11,12,15,16-Octahydro-4H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-3,4-Dimethyl-5,6-Dihydropyran-2-One; Nsc334387; Withaperuvin
• Molecular Formula: C₂₈H₄₀O₉
• Molecular Weight: 520.62
• CAS Registry Number: 78285-97-9
• SMILES: [C@@]25([C@]([C@H](C[C@H]3[C@@]1(CC[C@]([C@]1(CC[C@H]23)C)([C@]([C@@H]4OC(=O)C(=C(C4)C)C)(O)C)O)O)O)([C@@H](O)C=CC5=O)O)C
• InChI: 1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3/t16-,17+,19-,20-,21+,23-,24-,25-,26+,27-,28+/m0/s1
• InChIKey: XLUKITCTLVOOAW-VQDSAXESSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 723.22°C at 760 mmHg (Cal.)
• Flash point: 237.112°C (Cal.)