[6-[[6,7-bis[[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy]-14-ethyl-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-2,4-dimethyl-4-oxidanyl-oxan-3-yl] ethanoate

Systemtic Name: [6-[[6,7-bis[[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy]-14-ethyl-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-2,4-dimethyl-4-oxidanyl-oxan-3-yl] ethanoate Openeye Name: [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate Traditional Name: acetic acid [6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-14-ethyl-12,13-dihydroxy-2,10-diketo-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C46H82N2O16 MolecularWeight: 919.14708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4C(C(CC(O4)C)N(C)C)O)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4C(C(CC(O4)C)N(C)C)O)C)C)O)(C)O

InChI

InChI=1S/C46H82N2O16/c1-17-32-46(12,56)38(53)25(5)34(50)22(2)20-45(11,64-43-36(52)31(48(15)16)19-24(4)58-43)39(63-42-35(51)30(47(13)14)18-23(3)57-42)26(6)37(27(7)41(54)61-32)62-33-21-44(10,55)40(28(8)59-33)60-29(9)49/h22-28,30-33,35-40,42-43,51-53,55-56H,17-21H2,1-16H3