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-oxidanyl-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-oxidanyl-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-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,9,13-trimethyl-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-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,9,13-trimethyl-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-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-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-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-2,10-diketo-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]but-2-enoic acid ethyl ester Formula: C43H71NO15 MolecularWeight: 842.02154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=CC(=O)OCC)C)C)COC3C(C(C(C(O3)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)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)C/C=C/C(=O)OCC)C)\C)COC3C(C(C(C(O3)C)O)OC)OC

InChI

InChI=1S/C43H71NO15/c1-12-32-29(22-55-43-41(53-11)40(52-10)37(50)27(7)57-43)19-23(3)17-18-30(45)24(4)20-28(15-14-16-33(47)54-13-2)39(25(5)31(46)21-34(48)58-32)59-42-38(51)35(44(8)9)36(49)26(6)56-42/h14,16-19,24-29,31-32,35-43,46,49-51H,12-13,15,20-22H2,1-11H3/b16-14+,18-17+,23-19+/t24-,25+,26?,27?,28+,29-,31-,32-,35?,36?,37?,38?,39-,40?,41?,42?,43?/m1/s1