(3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol
[CAS# 134886-64-9]

Identification

• Name: (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol
• Synonyms: (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol; (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol; (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol
• Molecular Formula: C₃₆H₆₂O₁₀
• Molecular Weight: 654.88
• CAS Registry Number: 134886-64-9
• SMILES: [C@H]5(OC4CC[C@H]2C(=CCC3[C@]1(C)CC[C@H]([C@@H]([C@@H]([C@H]([C@H](C(C)(C)O)O)O)O)C)[C@@]1(C)CC[C@]23C)C4(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO
• InChI: 1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3/t18-,19+,21-,22+,23?,24?,25-,26+,27-,28+,29+,30+,31-,34+,35+,36-/m0/s1
• InChIKey: BQQVUJRUVFZIJJ-MCUCJKLQSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 810.04°C at 760 mmHg (Cal.)
• Flash point: 443.696°C (Cal.)