[3-[(4aS,9aS)-5-acetyloxy-4a-(3-acetyloxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetyloxy-2-oxidanylidene-pyran-4-yl)phenyl] ethanoate

Systemtic Name: [3-[(4aS,9aS)-5-acetyloxy-4a-(3-acetyloxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetyloxy-2-oxidanylidene-pyran-4-yl)phenyl] ethanoate Openeye Name: [3-[(4aS,9aS)-5-acetoxy-4a-(3-acetoxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetoxy-2-oxo-pyran-4-yl)phenyl] acetate CAS Name: acetic acid [3-[(4aS,9aS)-5-acetyloxy-4a-(3-acetyloxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetyloxy-2-oxo-4-pyranyl)phenyl] ester IUPAC Name: [3-[(4aS,9aS)-5-acetyloxy-4a-(3-acetyloxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetyloxy-2-oxopyran-4-yl)phenyl] acetate Traditional Name: acetic acid [3-[(4aS,9aS)-5-acetoxy-4a-(3-acetoxyphenyl)-1-but-3-ynyl-9,9a-dihydro-2H-indeno[2,1-b]pyridin-3-yl]-4-(3-acetoxy-2-keto-pyran-4-yl)phenyl] ester Formula: C41H35NO10 MolecularWeight: 701.7173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C2=C(C(=O)OC=C2)OC(=O)C)C3=CC4(C(CC5=C4C(=CC=C5)OC(=O)C)N(C3)CCC#C)C6=CC(=CC=C6)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C2=C(C(=O)OC=C2)OC(=O)C)C3=C[C@]4([C@H](CC5=C4C(=CC=C5)OC(=O)C)N(C3)CCC#C)C6=CC(=CC=C6)OC(=O)C

InChI

InChI=1S/C41H35NO10/c1-6-7-17-42-23-29(35-21-32(50-25(3)44)14-15-33(35)34-16-18-48-40(47)39(34)52-27(5)46)22-41(30-11-9-12-31(20-30)49-24(2)43)37(42)19-28-10-8-13-36(38(28)41)51-26(4)45/h1,8-16,18,20-22,37H,7,17,19,23H2,2-5H3/t37-,41+/m0/s1