[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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-(dimethylamino)-2-[[(3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-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: C39H69NO12 MolecularWeight: 743.96466

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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)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)OC(=O)C)(C)O)C)C)O)C

InChI

InChI=1S/C39H69NO12/c1-15-29-23(5)32(43)24(6)31(42)20(2)17-39(11,45)35(52-37-34(49-27(9)41)28(40(12)13)16-21(3)48-37)25(7)33(26(8)36(44)50-29)51-30-19-38(10,46-14)18-22(4)47-30/h20-26,28-30,32-35,37,43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26-,28+,29+,30+,32+,33+,34-,35-,37+,38+,39-/m1/s1