[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-propoxyimino-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-propoxyimino-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-propoxyimino-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-propoxyimino-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-propoxyimino-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7S,9R,10Z,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-10-propyloximino-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C42H76N2O14 MolecularWeight: 833.05784

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Descriptors Computed from Structure

Canonical SMILES:

CCCON=C1C(CC(C(C(C(C(C(=O)OC(C(C(C1C)O)(C)O)CC)C)OC2CC(C(C(O2)C)OC(=O)C)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C

Isomeric SMILES

CCCO/N=C\1/[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)C)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C

InChI

InChI=1S/C42H76N2O14/c1-16-18-52-43-32-22(3)20-40(10,49)36(58-39-33(46)29(44(13)14)19-23(4)53-39)25(6)34(26(7)38(48)56-30(17-2)42(12,50)35(47)24(32)5)57-31-21-41(11,51-15)37(27(8)54-31)55-28(9)45/h22-27,29-31,33-37,39,46-47,49-50H,16-21H2,1-15H3/b43-32-/t22-,23-,24-,25+,26-,27+,29+,30+,31+,33-,34+,35-,36-,37+,39+,40+,41-,42-/m1/s1