methyl (E)-4-[(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)-4-[(E)-3-phenylprop-2-enoyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(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)-4-[(E)-3-phenylprop-2-enoyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate Openeye Name: methyl (E)-4-[(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-4-[(E)-3-phenylprop-2-enoyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate CAS Name: (E)-4-[(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-4-[(E)-1-oxo-3-phenylprop-2-enoxy]-1-oxacyclohexadeca-11,13-dien-7-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(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-4-[(E)-3-phenylprop-2-enoyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoate Traditional Name: (E)-4-[(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-5,9,13-trimethyl-4-[(E)-3-phenylacryloyl]oxy-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoic acid methyl ester Formula: C51H75NO16 MolecularWeight: 958.1383

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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)C=CC2=CC=CC=C2)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=CC(=O)OC)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)/C=C/C2=CC=CC=C2)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)OC)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C51H75NO16/c1-12-38-36(28-63-51-49(62-11)48(61-10)45(58)33(6)65-51)25-29(2)21-23-37(53)30(3)26-35(19-16-20-40(54)60-9)47(68-50-46(59)43(52(7)8)44(57)32(5)64-50)31(4)39(27-42(56)66-38)67-41(55)24-22-34-17-14-13-15-18-34/h13-18,20-25,30-33,35-36,38-39,43-51,57-59H,12,19,26-28H2,1-11H3/b20-16+,23-21+,24-22+,29-25+/t30-,31+,32+,33-,35+,36-,38-,39-,43-,44+,45-,46+,47-,48-,49-,50-,51-/m1/s1