(4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-1-oxacyclohexadec-12-ene-2,10-dione

Systemtic Name: (4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-1-oxacyclohexadec-12-ene-2,10-dione Openeye Name: (4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadec-12-ene-2,10-dione CAS Name: (4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-6-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadec-12-ene-2,10-dione IUPAC Name: (4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadec-12-ene-2,10-dione Traditional Name: (4R,5S,6S,7R,9R,12E,14S,15S,16R)-7-(2,2-dimethoxyethyl)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadec-12-ene-2,10-quinone Formula: C41H73NO16 MolecularWeight: 836.01542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H]1[C@H]([C@@H](/C(=C/CC(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)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)O)OC)OC

InChI

InChI=1S/C41H73NO16/c1-13-29-26(19-54-41-39(53-12)38(52-11)35(48)24(6)56-41)33(46)20(2)14-15-27(43)21(3)16-25(17-31(50-9)51-10)37(22(4)28(44)18-30(45)57-29)58-40-36(49)32(42(7)8)34(47)23(5)55-40/h14,21-26,28-29,31-41,44,46-49H,13,15-19H2,1-12H3/b20-14+/t21-,22+,23-,24-,25-,26-,28-,29-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1