[(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-4-oxidanyl-8,14,16-tris(oxidanylidene)-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-4-oxidanyl-8,14,16-tris(oxidanylidene)-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-4-hydroxy-5,9,13-trimethyl-8,14,16-trioxo-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-4-hydroxy-5,9,13-trimethyl-8,14,16-trioxo-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyl-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4-hydroxy-5,9,13-trimethyl-8,14,16-trioxo-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5S,6R)-6-[[(5E)-11-(2,2-dimethoxyethyl)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-4-hydroxy-8,14,16-triketo-5,9,13-trimethyl-1-oxacyclohexadec-5-en-3-yl]methoxy]-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C43H73NO17 MolecularWeight: 876.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(=CCC(=O)C(CC(C(C(C(=O)CC(=O)O1)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC(OC)OC)C)C)O)COC3C(C(C(C(O3)C)OC(=O)C)OC)OC

Isomeric SMILES

CCC1C(C(/C(=C/CC(=O)C(CC(C(C(C(=O)CC(=O)O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC(OC)OC)C)/C)O)CO[C@H]3[C@H]([C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC)OC

InChI

InChI=1S/C43H73NO17/c1-14-31-28(20-56-43-41(55-13)40(54-12)39(25(6)58-43)59-26(7)45)35(49)21(2)15-16-29(46)22(3)17-27(18-33(52-10)53-11)38(23(4)30(47)19-32(48)60-31)61-42-37(51)34(44(8)9)36(50)24(5)57-42/h15,22-25,27-28,31,33-43,49-51H,14,16-20H2,1-13H3/b21-15+/t22?,23?,24-,25-,27?,28?,31?,34+,35?,36-,37-,38?,39-,40-,41+,42+,43-/m1/s1