(2S,3R,4R,8R,9S,10S,11R,12R)-9-[(4R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-11-[(3R,4S,6R)-6-methyl-4-[methyl(propan-2-yl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one

Systemtic Name: (2S,3R,4R,8R,9S,10S,11R,12R)-9-[(4R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-11-[(3R,4S,6R)-6-methyl-4-[methyl(propan-2-yl)amino]-3-oxidanyl-oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one Openeye Name: (2S,3R,4R,8R,9S,10S,11R,12R)-3,4-dihydroxy-11-[(3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-9-[(4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one CAS Name: (2S,3R,4R,8R,9S,10S,11R,12R)-3,4-dihydroxy-9-[[(4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-11-[[(3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]-2-oxanyl]oxy]-2,4,8,10,12,14-hexamethyl-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one IUPAC Name: (2S,3R,4R,8R,9S,10S,11R,12R)-3,4-dihydroxy-9-[(4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one Traditional Name: (2S,3R,4R,8R,9S,10S,11R,12R)-3,4-dihydroxy-11-[(3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-9-[(4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-5-propyl-15-oxa-6-azabicyclo[10.2.1]pentadec-1(14)-en-7-one Formula: C40H72N2O11 MolecularWeight: 757.00648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)N1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)O)(C)O

Isomeric SMILES

CCCC1[C@@]([C@@H]([C@@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)N1)C)OC3C[C@@](C([C@@H](O3)C)O)(C)OC)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)O)(C)O

InChI

InChI=1S/C40H72N2O11/c1-15-16-28-40(12,47)33(44)23(6)31-21(4)18-39(11,53-31)35(52-37-30(43)27(17-22(5)49-37)42(13)20(2)3)24(7)32(25(8)36(46)41-28)51-29-19-38(10,48-14)34(45)26(9)50-29/h20,22-30,32-35,37,43-45,47H,15-19H2,1-14H3,(H,41,46)/t22-,23-,24+,25-,26+,27+,28?,29?,30-,32+,33-,34?,35-,37?,38-,39-,40-/m1/s1