(1S,2R,3R,8S,9R,10R,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,13,16,19-heptamethyl-2,7-bis(oxidanyl)-4,11,15-trioxa-17-azabicyclo[8.5.5]icosan-5-one

Systemtic Name: (1S,2R,3R,8S,9R,10R,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,13,16,19-heptamethyl-2,7-bis(oxidanyl)-4,11,15-trioxa-17-azabicyclo[8.5.5]icosan-5-one Openeye Name: (1S,2R,3R,8S,9R,10R,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,13,16,19-heptamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icosan-5-one CAS Name: (1S,2R,3R,8S,9R,10R,16R,19R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2,7-dihydroxy-2,6,8,10,13,16,19-heptamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]eicosan-5-one IUPAC Name: (1S,2R,3R,8S,9R,10R,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,13,16,19-heptamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icosan-5-one Traditional Name: (1S,2R,3R,8S,9R,10R,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2,7-dihydroxy-2,6,8,10,13,16,19-heptamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]eicosan-5-one Formula: C33H62N2O9 MolecularWeight: 630.85338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(NCC(CC(C(C(C(C(C(=O)O1)C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(CO2)C)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](NC[C@@H](C[C@]([C@@H]([C@H](C(C(C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(CO2)C)C)C)C)(C)O

InChI

InChI=1S/C33H62N2O9/c1-12-25-33(9,39)29-23(7)34-15-18(2)14-32(8,41-17-19(3)16-40-29)28(21(5)26(36)22(6)30(38)43-25)44-31-27(37)24(35(10)11)13-20(4)42-31/h18-29,31,34,36-37,39H,12-17H2,1-11H3/t18-,19?,20-,21+,22?,23-,24+,25-,26?,27-,28-,29+,31+,32-,33-/m1/s1