[(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-methylsulfonyloxy-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-methylsulfonyloxy-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ethanoate Openeye Name: [(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[(2R,3R,4S,5S,6R)-3,5-diacetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-methylsulfonyloxy-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-5,9,13-trimethyl-14-methylsulfonyloxy-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester IUPAC Name: [(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-methylsulfonyloxy-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4E,6E,9R,11R,12S,13R,14R)-12-[(2R,3R,4S,5S,6R)-3,5-diacetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-8,16-diketo-11-(2-ketoethyl)-5,9,13-trimethyl-14-methylsulfonyloxy-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester Formula: C38H59NO15S MolecularWeight: 801.93776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OS(=O)(=O)C)C)OC2C(C(C(C(O2)C)OC(=O)C)N(C)C)OC(=O)C)CC=O)C)C)COC(=O)C

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OS(=O)(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC(=O)C)N(C)C)OC(=O)C)CC=O)C)\C)COC(=O)C

InChI

InChI=1S/C38H59NO15S/c1-12-31-29(20-48-25(6)41)17-21(2)13-14-30(44)22(3)18-28(15-16-40)35(23(4)32(19-33(45)52-31)54-55(11,46)47)53-38-37(51-27(8)43)34(39(9)10)36(24(5)49-38)50-26(7)42/h13-14,16-17,22-24,28-29,31-32,34-38H,12,15,18-20H2,1-11H3/b14-13+,21-17+/t22-,23+,24-,28+,29-,31-,32-,34+,35-,36-,37-,38+/m1/s1