ethyl (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-[2-(4-nitrophenyl)ethanoyloxy]-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-[2-(4-nitrophenyl)ethanoyloxy]-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate Openeye Name: ethyl (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,9,13-trimethyl-4-[2-(4-nitrophenyl)acetyl]oxy-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate CAS Name: (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,9,13-trimethyl-4-[2-(4-nitrophenyl)-1-oxoethoxy]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-4-[2-(4-nitrophenyl)acetyl]oxy-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate Traditional Name: (E)-4-[(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-2,10-diketo-5,9,13-trimethyl-4-[2-(4-nitrophenyl)acetyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoic acid ethyl ester Formula: C51H76N2O18 MolecularWeight: 1005.15174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=CC(=O)OCC)C)C)COC4C(C(C(C(O4)C)O)OC)OC

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C)OC3C(C(C(C(O3)C)O)N(C)C)O)C/C=C/C(=O)OCC)C)\C)COC4C(C(C(C(O4)C)O)OC)OC

InChI

InChI=1S/C51H76N2O18/c1-12-38-35(27-66-51-49(64-11)48(63-10)45(59)32(7)68-51)23-28(3)17-22-37(54)29(4)24-34(15-14-16-40(55)65-13-2)47(71-50-46(60)43(52(8)9)44(58)31(6)67-50)30(5)39(26-42(57)69-38)70-41(56)25-33-18-20-36(21-19-33)53(61)62/h14,16-23,29-32,34-35,38-39,43-51,58-60H,12-13,15,24-27H2,1-11H3/b16-14+,22-17+,28-23+/t29-,30+,31?,32?,34+,35-,38-,39-,43?,44?,45?,46?,47-,48?,49?,50?,51?/m1/s1