O4-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7-oxidanylidene-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyl-oxan-3-yl] O1-ethyl butanedioate

Systemtic Name: O4-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7-oxidanylidene-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyl-oxan-3-yl] O1-ethyl butanedioate Openeye Name: O4-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] O1-ethyl butanedioate CAS Name: butanedioic acid O4-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,8,10,12,14-hexamethyl-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester IUPAC Name: 4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate Traditional Name: succinic acid O4-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-keto-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-11-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester O1-ethyl ester Formula: C43H73NO15 MolecularWeight: 844.03742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)CCC(=O)OCC)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)CCC(=O)OCC)C)C)C)O)(C)O

InChI

InChI=1S/C43H73NO15/c1-15-29-43(11,50)36(47)24(5)33-22(3)20-42(10,59-33)38(25(6)34(26(7)39(49)55-29)57-32-21-41(9,51-14)37(48)27(8)54-32)58-40-35(28(44(12)13)19-23(4)53-40)56-31(46)18-17-30(45)52-16-2/h23-29,32,34-38,40,47-48,50H,15-21H2,1-14H3/t23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1