(2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-4-oxidanyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-dione

Systemtic Name: (2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-4-oxidanyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-dione Openeye Name: (2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-dione CAS Name: (2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4-hydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-dione IUPAC Name: (2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-dione Traditional Name: (2R,4R,6S,8R,11R)-14-(azidomethyl)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecane-9,13-quinone Formula: C38H66N4O12 MolecularWeight: 770.95024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(=O)C(C(O2)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)(C)CN=[N+]=[N-])C

Isomeric SMILES

CC[C@@H]1C2(C(=O)C(C(O2)[C@@H](C[C@@](C([C@H](C([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)(C)CN=[N+]=[N-])C

InChI

InChI=1S/C38H66N4O12/c1-14-25-38(10)34(46)35(7,18-40-41-39)30(54-38)19(2)16-36(8,47)31(53-33-27(43)24(42(11)12)15-20(3)49-33)21(4)28(22(5)32(45)51-25)52-26-17-37(9,48-13)29(44)23(6)50-26/h19-31,33,43-44,47H,14-18H2,1-13H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28?,29+,30?,31?,33+,35?,36-,37-,38?/m1/s1