(4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-7-ethyl-5-methoxy-9,16-dimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-dien-2-one

Systemtic Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-7-ethyl-5-methoxy-9,16-dimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-dien-2-one Openeye Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one CAS Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6R)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one IUPAC Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one Traditional Name: (4R,5S,6S,7S,9R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one Formula: C43H76N2O13 MolecularWeight: 829.06914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C=CC=CCC(OC(=O)CC(C(C1OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)OC)O)C)OC4CCC(C(O4)C)N(C)C)C

Isomeric SMILES

CC[C@H]1C[C@H](C(/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)OC)O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C)C

InChI

InChI=1S/C43H76N2O13/c1-13-29-21-24(2)32(56-34-20-19-30(44(8)9)26(4)53-34)18-16-14-15-17-25(3)52-33(47)22-31(46)40(51-12)39(29)58-42-37(48)36(45(10)11)38(27(5)55-42)57-35-23-43(7,50)41(49)28(6)54-35/h14-16,18,24-32,34-42,46,48-50H,13,17,19-23H2,1-12H3/b15-14+,18-16+/t24-,25-,26-,27-,28+,29+,30+,31-,32?,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1