[2-[4-[(4E,6E,12E,14Z)-3,15-dimethoxy-7,9,11,13-tetramethyl-10-oxidanyl-16-oxidanylidene-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yl-oxan-4-yl] (E)-4-oxidanylidene-4-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]but-2-enoate

Systemtic Name: [2-[4-[(4E,6E,12E,14Z)-3,15-dimethoxy-7,9,11,13-tetramethyl-10-oxidanyl-16-oxidanylidene-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yl-oxan-4-yl] (E)-4-oxidanylidene-4-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]but-2-enoate Openeye Name: [2-[2-hydroxy-3-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methyl-butyl]-6-isopropyl-2-methoxy-5-methyl-tetrahydropyran-4-yl] (E)-4-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-4-oxo-2-butenoic acid [2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yl-4-oxanyl] ester IUPAC Name: [2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-hydroxy-5-keto-cyclopenten-1-yl)amino]-4-keto-but-2-enoic acid [2-[2-hydroxy-3-[(4E,6E,12E,14Z)-10-hydroxy-16-keto-3,15-dimethoxy-7,9,11,13-tetramethyl-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methyl-butyl]-6-isopropyl-2-methoxy-5-methyl-tetrahydropyran-4-yl] ester Formula: C45H67NO13 MolecularWeight: 830.01238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)C=CC(=O)NC3=C(CCC3=O)O)OC)O)OC)C

Isomeric SMILES

CC1C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)OC)O)OC)/C

InChI

InChI=1S/C45H67NO13/c1-24(2)42-29(7)36(57-38(50)19-18-37(49)46-39-32(47)16-17-33(39)48)23-45(56-12,59-42)31(9)41(52)30(8)43-34(54-10)15-13-14-25(3)20-27(5)40(51)28(6)21-26(4)22-35(55-11)44(53)58-43/h13-15,18-19,21-22,24,27-31,34,36,40-43,47,51-52H,16-17,20,23H2,1-12H3,(H,46,49)/b15-13+,19-18+,25-14+,26-21+,35-22-