26-Iodoponasterone A
[CAS# 114752-28-2]

Identification

• Name: 26-Iodoponasterone A
• Synonyms: (2S,3R,5R,9R,10R,13R,17S)-17-[(1R)-1,2-Dihydroxy-6-Iodo-1,5-Dimethyl-Hexyl]-2,3,14-Trihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17S)-17-[(1R)-1,2-Dihydroxy-6-Iodo-1,5-Dimethylhexyl]-2,3,14-Trihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-Dihydroxy-7-Iodo-6-Methyl-Heptan-2-Yl]-2,3,14-Trihydroxy-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₃IO₆
• Molecular Weight: 590.54
• CAS Registry Number: 114752-28-2
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@H]3[C@@]([C@H]1CC2)(C[C@H](O)[C@H](O)C3)C)CC[C@@H]4[C@@](O)(C(O)CCC(CI)C)C)C
• InChI: 1S/C27H43IO6/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23?,24+,25+,26+,27?/m0/s1
• InChIKey: OFAWDAXRJPJULO-GRIYGNIGSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 679.422°C at 760 mmHg (Cal.)
• Flash point: 364.702°C (Cal.)