6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-12-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7-oxidanylidene-cyclotetradecylidene]amino]oxyhexyl ethanoate

Systemtic Name: 6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-12-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7-oxidanylidene-cyclotetradecylidene]amino]oxyhexyl ethanoate Openeye Name: 6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-12-methoxy-2,4,8,10,12,14-hexamethyl-7-oxo-cyclotetradecylidene]amino]oxyhexyl acetate CAS Name: acetic acid 6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-3,4-dihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-12-methoxy-2,4,8,10,12,14-hexamethyl-7-oxocyclotetradecylidene]amino]oxyhexyl ester IUPAC Name: 6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-12-methoxy-2,4,8,10,12,14-hexamethyl-7-oxocyclotetradecylidene]amino]oxyhexyl acetate Traditional Name: acetic acid 6-[(E)-[(2S,3R,4R,5S,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-keto-12-methoxy-2,4,8,10,12,14-hexamethyl-cyclotetradecylidene]amino]oxyhexyl ester Formula: C47H86N2O14 MolecularWeight: 903.19074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCCCCCCOC(=O)C)C(C(C1(C)O)O)C)C)(C)OC)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(O3)C)O)(C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C47H86N2O14/c1-16-34-24-36(51)29(4)40(62-37-26-45(9,56-14)42(54)32(7)61-37)31(6)43(63-44-39(52)35(49(12)13)23-28(3)60-44)46(10,57-15)25-27(2)38(30(5)41(53)47(34,11)55)48-59-22-20-18-17-19-21-58-33(8)50/h27-32,34-35,37,39-44,52-55H,16-26H2,1-15H3/b48-38+/t27-,28-,29+,30+,31+,32+,34+,35+,37+,39-,40-,41-,42+,43-,44+,45-,46-,47-/m1/s1