[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-Ethenyl-6,10,10B-Trihydroxy-3,4a,7,7,10a-Pentamethyl-1-Oxo-5,6,6a,8,9,10-Hexahydro-2H-Benzo[f]Chromen-5-Yl] 4-[2-(4-Azido-3-Iodophenyl)Ethylamino]-4-Oxobutanoate
[CAS# 111399-48-5]

Identification

• Name: [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-Ethenyl-6,10,10B-Trihydroxy-3,4a,7,7,10a-Pentamethyl-1-Oxo-5,6,6a,8,9,10-Hexahydro-2H-Benzo[f]Chromen-5-Yl] 4-[2-(4-Azido-3-Iodophenyl)Ethylamino]-4-Oxobutanoate
• Synonyms: [(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyl-5,6,6A,8,9,10-Hexahydro-2H-Benzo[F]Chromen-5-Yl] 4-[2-(4-Azido-3-Iodo-Phenyl)Ethylamino]-4-Oxo-Butanoate; 4-[2-(4-Azido-3-Iodophenyl)Ethylamino]-4-Oxobutanoic Acid [(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyl-5,6,6A,8,9,10-Hexahydro-2H-Benzo[F]Chromen-5-Yl] Ester; 4-[2-(4-Azido-3-Iodo-Phenyl)Ethylamino]-4-Keto-Butyric Acid [(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-1-Keto-3,4A,7,7,10A-Pentamethyl-3-Vinyl-5,6,6A,8,9,10-Hexahydro-2H-Benzo[F]Chromen-5-Yl] Ester
• Molecular Formula: C₃₂H₄₃IN₄O₈
• Molecular Weight: 738.62
• CAS Registry Number: 111399-48-5
• SMILES: [N+](=NC4=CC=C(CCNC(CCC(=O)O[C@H]2[C@]1([C@@](C(C[C@](O1)(C)C=C)=O)([C@]3([C@H]([C@H]2O)C(CC[C@H]3O)(C)C)C)O)C)=O)C=C4I)=[N-]
• InChI: 1S/C32H43IN4O8/c1-7-29(4)17-22(39)32(43)30(5)21(38)12-14-28(2,3)26(30)25(42)27(31(32,6)45-29)44-24(41)11-10-23(40)35-15-13-18-8-9-20(36-37-34)19(33)16-18/h7-9,16,21,25-27,38,42-43H,1,10-15,17H2,2-6H3,(H,35,40)/t21-,25-,26-,27-,29+,30-,31+,32-/m1/s1
• InChIKey: IUGVZLHMBHRXLF-ZVHPZFBOSA-N