(2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-6-oxidanyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-dione

Systemtic Name: (2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-6-oxidanyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-dione Openeye Name: (2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-dione CAS Name: (2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-amino-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-hydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-dione IUPAC Name: (2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-dione Traditional Name: (2R,3S,4R,6S,7R,8S,9S,10R,13S,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-11,16-quinone Formula: C38H68N2O13 MolecularWeight: 760.95212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)N)C)OC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2(C([C@@H]([C@H]([C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N)C)OC(=O)O2)C

InChI

InChI=1S/C38H68N2O13/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(39)18(2)16-36(8,45)31(51-34-28(41)24(40(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-32,34,41-42,45H,14-17,39H2,1-13H3/t18-,19-,20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32?,34+,36+,37-,38-/m1/s1