[(3R,5S,6R,7S,8E,11S,12Z,14E)-20-acetyloxy-17-ethanoyl-5,11,21-trimethoxy-3,7,9,15-tetramethyl-22-oxidanyl-10,16-bis(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] ethanoate

Systemtic Name: [(3R,5S,6R,7S,8E,11S,12Z,14E)-20-acetyloxy-17-ethanoyl-5,11,21-trimethoxy-3,7,9,15-tetramethyl-22-oxidanyl-10,16-bis(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] ethanoate Openeye Name: [(3R,5S,6R,7S,8E,11S,12Z,14E)-20-acetoxy-17-acetyl-22-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-10,16-dioxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] acetate CAS Name: acetic acid [(3R,5S,6R,7S,8E,11S,12Z,14E)-17-acetyl-20-acetyloxy-22-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-10,16-dioxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,11S,12Z,14E)-17-acetyl-20-acetyloxy-22-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-10,16-dioxo-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] acetate Traditional Name: acetic acid [(3R,5S,6R,7S,8E,11S,12Z,14E)-20-acetoxy-17-acetyl-22-hydroxy-10,16-diketo-5,11,21-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-6-yl] ester Formula: C34H45NO11 MolecularWeight: 643.7212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(=O)C(C=CC=C(C(=O)N(C2=CC(=C(C(=C2O)C1)OC)OC(=O)C)C(=O)C)C)OC)C)C)OC(=O)C)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/C(=O)[C@H](/C=C\C=C(\C(=O)N(C2=CC(=C(C(=C2O)C1)OC)OC(=O)C)C(=O)C)/C)OC)\C)C)OC(=O)C)OC

InChI

InChI=1S/C34H45NO11/c1-18-14-25-31(40)26(17-29(33(25)44-10)45-23(6)37)35(22(5)36)34(41)19(2)12-11-13-27(42-8)30(39)20(3)16-21(4)32(46-24(7)38)28(15-18)43-9/h11-13,16-18,21,27-28,32,40H,14-15H2,1-10H3/b13-11-,19-12+,20-16+/t18-,21+,27+,28+,32-/m1/s1