(3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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-12,13-bis(oxidanyl)-7-[(4-phenylphenyl)methoxy]-1-oxacyclotetradecan-2-one

Systemtic Name: (3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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-12,13-bis(oxidanyl)-7-[(4-phenylphenyl)methoxy]-1-oxacyclotetradecan-2-one Openeye Name: (3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[(4-phenylphenyl)methoxy]-oxacyclotetradecan-2-one CAS Name: (3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-7-[(4-phenylphenyl)methoxy]-oxacyclotetradecan-2-one IUPAC Name: (3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[(4-phenylphenyl)methoxy]-oxacyclotetradecan-2-one Traditional Name: (3R,4R,5S,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-10-hydroximino-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(4-phenylbenzyl)oxy-oxacyclotetradecan-2-one Formula: C50H78N2O13 MolecularWeight: 915.15992

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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)N(C)C)O)(C)OCC4=CC=C(C=C4)C5=CC=CC=C5)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@H](C[C@H](O3)C)N(C)C)O)(C)OCC4=CC=C(C=C4)C5=CC=CC=C5)C)C)O)(C)O

InChI

InChI=1S/C50H78N2O13/c1-14-38-50(10,57)43(54)30(4)40(51-58)28(2)25-49(9,60-27-34-20-22-36(23-21-34)35-18-16-15-17-19-35)45(65-47-41(53)37(52(11)12)24-29(3)61-47)31(5)42(32(6)46(56)63-38)64-39-26-48(8,59-13)44(55)33(7)62-39/h15-23,28-33,37-39,41-45,47,53-55,57-58H,14,24-27H2,1-13H3/b51-40+/t28-,29-,30-,31+,32-,33+,37+,38+,39+,41-,42-,43-,44+,45-,47+,48-,49+,50-/m1/s1