(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-6-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-7,12-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione

Systemtic Name: (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-6-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-7,12-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione Openeye Name: (3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-14-ethyl-7,12-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione CAS Name: (3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-14-ethyl-7,12-dihydroxy-6-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)-2-oxanyl]oxy]-4-[[(2S,4S,6S)-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione IUPAC Name: (3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-14-ethyl-7,12-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione Traditional Name: (3R,4S,5R,6R,7R,9R,11S,12S,13R,14S)-14-ethyl-7,12-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone Formula: C36H65NO11 MolecularWeight: 687.9014

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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)NC)O)(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)NC)O)(C)O)C)C)O)C

InChI

InChI=1S/C36H65NO11/c1-13-26-21(5)29(39)22(6)28(38)18(2)15-36(10,42)32(48-34-30(40)25(37-11)14-19(3)45-34)23(7)31(24(8)33(41)46-26)47-27-17-35(9,43-12)16-20(4)44-27/h18-27,29-32,34,37,39-40,42H,13-17H2,1-12H3/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,29+,30-,31+,32-,34+,35+,36-/m1/s1