Polypodoside A
[CAS# 119784-25-7]

Identification

• Name: Polypodoside A
• Synonyms: (3R,5R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-Methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-6-One; (3R,5R,9S,10R,13R,14S,17R)-3-[[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-Methyl-6-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-6-One; (3R,5R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-Methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₄₅H₇₂O₁₇
• Molecular Weight: 885.05
• CAS Registry Number: 119784-25-7
• SMILES: [C@@H]14[C@@]([C@H](CC1)[C@@H]([C@@H]3O[C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@H](CC3)C)C)(CC[C@@H]5C4=CC(=O)[C@H]8[C@@]5(CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CO)C8)C)C
• InChI: 1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3/t18-,19-,20-,21-,22+,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+/m0/s1
• InChIKey: OFFJUHSISSNBNT-NZWHLKEESA-N

Properties

• Density: 1.403g/cm³ (Cal.)
• Boiling point: 989.906°C at 760 mmHg (Cal.)
• Flash point: 286.858°C (Cal.)