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

Systemtic Name: [(2S,3R,4S,6R)-4-[1-chloroethyloxycarbonyl(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-4-[1-chloroethoxycarbonyl(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-4-[[1-chloroethoxy(oxo)methyl]-methylamino]-2-[[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-7,12-dihydroxy-4-[[(2S,4S,6S)-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-4-[1-chloroethoxycarbonyl(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-7,12-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-4-[1-chloroethoxycarbonyl(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-7,12-dihydroxy-2,10-diketo-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C41H70ClNO14 MolecularWeight: 836.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(CC(O2)C)(C)OC)C)OC3C(C(CC(O3)C)N(C)C(=O)OC(C)Cl)OC(=O)C)(C)O)C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C41H70ClNO14/c1-15-30-23(5)33(46)24(6)32(45)20(2)17-41(12,49)36(25(7)34(26(8)37(47)55-30)56-31-19-40(11,50-14)18-22(4)51-31)57-38-35(54-28(10)44)29(16-21(3)52-38)43(13)39(48)53-27(9)42/h20-27,29-31,33-36,38,46,49H,15-19H2,1-14H3/t20-,21-,22+,23+,24+,25+,26-,27?,29+,30-,31+,33+,34+,35-,36-,38+,40+,41-/m1/s1