(3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,4,5-trimethoxy-10-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-1,9,11,13,15-pentamethyl-13-oxidanyl-1,7-diazacyclopentadecan-8-one

Systemtic Name: (3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,4,5-trimethoxy-10-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-1,9,11,13,15-pentamethyl-13-oxidanyl-1,7-diazacyclopentadecan-8-one Openeye Name: (3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-hydroxy-10-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,4,5-trimethoxy-1,9,11,13,15-pentamethyl-1,7-diazacyclopentadecan-8-one CAS Name: (3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-hydroxy-10-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,4,5-trimethoxy-1,9,11,13,15-pentamethyl-1,7-diazacyclopentadecan-8-one IUPAC Name: (3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-10-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,4,5-trimethoxy-1,9,11,13,15-pentamethyl-1,7-diazacyclopentadecan-8-one Traditional Name: (3R,4S,5R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-hydroxy-10-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,4,5-trimethoxy-1,9,11,13,15-pentamethyl-1,7-diazacyclopentadecan-8-one Formula: C37H71N3O12 MolecularWeight: 749.97254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(C(C(=O)NCC(C(C(CN(C(CC2(C)O)C)C)OC)OC)OC)C)OC3CC(C(C(O3)C)O)(C)OC)C)O)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)NC[C@H]([C@@H]([C@@H](CN([C@@H](C[C@]2(C)O)C)C)OC)OC)OC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O)N(C)C

InChI

InChI=1S/C37H71N3O12/c1-20-16-36(6,44)33(52-35-29(41)25(39(8)9)15-21(2)49-35)22(3)30(51-28-17-37(7,48-14)32(42)24(5)50-28)23(4)34(43)38-18-26(45-11)31(47-13)27(46-12)19-40(20)10/h20-33,35,41-42,44H,15-19H2,1-14H3,(H,38,43)/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,35+,36+,37-/m1/s1