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

Systemtic Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[(E)-(4-methylsulfanylphenyl)methylidenehydrazinylidene]-7,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one Openeye Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[(E)-(4-methylsulfanylphenyl)methylenehydrazono]-oxacyclotetradecan-2-one CAS Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-10-[(E)-[4-(methylthio)phenyl]methylidenehydrazinylidene]-oxacyclotetradecan-2-one IUPAC Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[(E)-(4-methylsulfanylphenyl)methylidenehydrazinylidene]-oxacyclotetradecan-2-one Traditional Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[(E)-[4-(methylthio)benzylidene]hydrazono]-oxacyclotetradecan-2-one Formula: C45H75N3O12S MolecularWeight: 882.1549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NN=CC2=CC=C(C=C2)SC)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)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/N=C/C2=CC=C(C=C2)SC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[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)O)(C)O

InChI

InChI=1S/C45H75N3O12S/c1-15-33-45(10,54)38(50)26(4)35(47-46-23-30-16-18-31(61-14)19-17-30)24(2)21-43(8,53)40(60-42-36(49)32(48(11)12)20-25(3)56-42)27(5)37(28(6)41(52)58-33)59-34-22-44(9,55-13)39(51)29(7)57-34/h16-19,23-29,32-34,36-40,42,49-51,53-54H,15,20-22H2,1-14H3/b46-23+,47-35+/t24-,25-,26+,27+,28-,29+,32+,33-,34?,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1