(2R,8R,9S,10S,13R,14S,16S,17R)-16-Hydroxy-17-[(2R)-2-Hydroxy-6-Methyl-3-Oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyheptan-2-Yl]-4,4,9,13,14-Pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 72384-23-7]

Identification

• Name: (2R,8R,9S,10S,13R,14S,16S,17R)-16-Hydroxy-17-[(2R)-2-Hydroxy-6-Methyl-3-Oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyheptan-2-Yl]-4,4,9,13,14-Pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (2R,8R,9S,10S,13R,14S,16S,17R)-16-Hydroxy-17-[(1R)-1-Hydroxy-1,5-Dimethyl-2-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hexyl]-4,4,9,13,14-Pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (2R,8R,9S,10S,13R,14S,16S,17R)-16-Hydroxy-17-[(1R)-1-Hydroxy-1,5-Dimethyl-2-Oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Hexyl]-4,4,9,13,14-Pentamethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (2R,8R,9S,10S,13R,14S,16S,17R)-16-Hydroxy-17-[(1R)-1-Hydroxy-2-Keto-1,5-Dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Hexyl]-4,4,9,13,14-Pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone
• Molecular Formula: C₄₂H₆₆O₁₇
• Molecular Weight: 842.97
• CAS Registry Number: 72384-23-7
• SMILES: [C@@H]14[C@@]([C@@H]3C(=CC1)C(C(=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C3)(C)C)(C(=O)C[C@]5([C@]4(C[C@H](O)[C@@H]5[C@@](O)(C(=O)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(C)C)C)C)C)C
• InChI: 1S/C42H66O17/c1-37(2,59-36-32(53)30(51)28(49)23(17-44)58-36)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(54)38(18,3)4)56-35-31(52)29(50)27(48)22(16-43)57-35/h9,19-24,27-33,35-36,43-45,48-53,55H,10-17H2,1-8H3/t19-,20-,21+,22+,23+,24+,27+,28+,29-,30-,31+,32+,33-,35+,36-,39-,40+,41+,42-/m0/s1
• InChIKey: OUMSLBLPSFMZJW-MMERYATKSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 986.787°C at 760 mmHg (Cal.)
• Flash point: 290.074°C (Cal.)