(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-10-hydroxyimino-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[[(2S,3R,6R)-6-methyl-3-oxidanyl-3,6-dihydro-2H-pyran-2-yl]oxy]-7,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one

Systemtic Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-10-hydroxyimino-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6-[[(2S,3R,6R)-6-methyl-3-oxidanyl-3,6-dihydro-2H-pyran-2-yl]oxy]-7,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one Openeye Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one CAS Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one IUPAC Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Traditional Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-10-hydroximino-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[[(2S,3R,6R)-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Formula: C35H61NO13 MolecularWeight: 703.85774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C=CC(O3)C)O)(C)O)C)C)O)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C35H61NO13/c1-12-24-35(10,42)28(38)19(4)26(36-43)17(2)15-33(8,41)30(49-32-23(37)14-13-18(3)45-32)20(5)27(21(6)31(40)47-24)48-25-16-34(9,44-11)29(39)22(7)46-25/h13-14,17-25,27-30,32,37-39,41-43H,12,15-16H2,1-11H3/b36-26+/t17-,18-,19+,20+,21-,22+,23-,24-,25+,27+,28-,29+,30-,32+,33-,34-,35-/m1/s1