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

Systemtic Name: [(4R,5S,6S,7S,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2S,3S,4R,5R,6S)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-2,10-bis(oxidanylidene)-7-[(E)-4-oxidanylidenebut-2-enyl]-1-oxacyclohexadeca-11,13-dien-4-yl] pyridine-2-carboxylate Openeye Name: [(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-[(E)-4-oxobut-2-enyl]-1-oxacyclohexadeca-11,13-dien-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[[(2S,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-[(E)-4-oxobut-2-enyl]-1-oxacyclohexadeca-11,13-dien-4-yl] ester IUPAC Name: [(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-[(E)-4-oxobut-2-enyl]-1-oxacyclohexadeca-11,13-dien-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(4R,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2,10-diketo-7-[(E)-4-ketobut-2-enyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-dien-4-yl] ester Formula: C47H70N2O15 MolecularWeight: 903.0631

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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)C2=CC=CC=N2)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=CC=O)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)C2=CC=CC=N2)C)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C)O)N(C)C)O)C/C=C/C=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C47H70N2O15/c1-11-35-32(25-59-47-44(58-10)43(57-9)40(54)30(6)61-47)22-26(2)18-19-34(51)27(3)23-31(16-13-15-21-50)42(64-46-41(55)38(49(7)8)39(53)29(5)60-46)28(4)36(24-37(52)62-35)63-45(56)33-17-12-14-20-48-33/h12-15,17-22,27-32,35-36,38-44,46-47,53-55H,11,16,23-25H2,1-10H3/b15-13+,19-18+,26-22+/t27-,28+,29+,30-,31+,32-,35-,36-,38-,39+,40-,41+,42-,43-,44-,46-,47-/m1/s1