[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-20-oxidanyl-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] carbamate

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-20-oxidanyl-16-oxidanylidene-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] carbamate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-20-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-20-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-20-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-carbamoyloxy-20-hydroxy-16-keto-5,11,21-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18(22),19-hexaen-6-yl] ester Formula: C30H43N3O9 MolecularWeight: 589.67712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2)C1)OC)O)C)OC)OC(=O)N)C)C)OC(=O)N)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=C(C(=C2)C1)OC)O)/C)OC)OC(=O)N)\C)C)OC(=O)N)OC

InChI

InChI=1S/C30H43N3O9/c1-16-11-20-14-21(15-22(34)27(20)40-7)33-28(35)17(2)9-8-10-23(38-5)25(41-29(31)36)18(3)13-19(4)26(42-30(32)37)24(12-16)39-6/h8-10,13-16,19,23-26,34H,11-12H2,1-7H3,(H2,31,36)(H2,32,37)(H,33,35)/b10-8-,17-9+,18-13+/t16-,19+,23+,24+,25+,26-/m1/s1