Polypodine B
[CAS# 18069-14-2]

Identification

• Name: Polypodine B
• Synonyms: (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethyl-Hexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethylhexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(2R,3R)-2,3,6-Trihydroxy-6-Methyl-Heptan-2-Yl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₄O₈
• Molecular Weight: 496.64
• CAS Registry Number: 18069-14-2
• SMILES: [C@]23(O)C1=CC([C@]4([C@]([C@H]1CC[C@]2(C)[C@H](CC3)[C@@]([C@@H](CCC(C)(C)O)O)(C)O)(C)C[C@@H]([C@@H](C4)O)O)O)=O
• InChI: 1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
• InChIKey: GMFLGNRCCFYOKL-ACCCYTKYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 732.662°C at 760 mmHg (Cal.)
• Flash point: 410.839°C (Cal.)