Rhodexin A
[CAS# 545-49-3]

Identification

• Name: Rhodexin A
• Synonyms: 4-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-10,13-Dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 545-49-3
• SMILES: [C@]25([C@@]([C@@H]1CC[C@H]4[C@@]([C@H]1[C@@H](C2)O)(CC[C@H](O[C@H]3[C@@H]([C@H](O)[C@H]([C@@H](O3)C)O)O)C4)C)(CC[C@@H]5C6=CC(=O)OC6)O)C
• InChI: 1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1
• InChIKey: HFMLTKBZNAPPNY-CEKKCSHUSA-N