[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,6-bis(oxidanyl)-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,6-bis(oxidanyl)-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-3,6-dihydroxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-3,6-dihydroxy-9-[[(2S,4S,6S)-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-3,6-dihydroxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,3S,4R,6R,7R,8S,9S,10R,13S,14R)-13-ethyl-3,6-dihydroxy-11,16-diketo-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C40H69NO14 MolecularWeight: 787.97416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(CC(O3)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)O)C)O)C)OC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)(C)O)C)O)C)OC(=O)O2)C

InChI

InChI=1S/C40H69NO14/c1-15-28-40(11)34(54-37(45)55-40)23(5)30(43)20(2)17-39(10,46)33(53-36-32(50-26(8)42)27(41(12)13)16-21(3)49-36)24(6)31(25(7)35(44)51-28)52-29-19-38(9,47-14)18-22(4)48-29/h20-25,27-34,36,43,46H,15-19H2,1-14H3/t20-,21-,22+,23-,24+,25-,27+,28+,29+,30+,31+,32-,33-,34-,36+,38+,39-,40-/m1/s1