[4-acetyloxy-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-oxan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-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-oxan-3-yl] ethanoate Openeye Name: [4-acetoxy-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]-2,4-dimethyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-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]-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [4-acetyloxy-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]-2,4-dimethyloxan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-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]-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C48H84N2O17 MolecularWeight: 961.18376

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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)OC(=O)C)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)OC(=O)C)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/C48H84N2O17/c1-18-34-48(13,58)40(56)26(5)36(53)23(2)21-46(11,67-45-38(55)33(50(16)17)20-25(4)60-45)41(65-44-37(54)32(49(14)15)19-24(3)59-44)27(6)39(28(7)43(57)63-34)64-35-22-47(12,66-31(10)52)42(29(8)61-35)62-30(9)51/h23-29,32-35,37-42,44-45,54-56,58H,18-22H2,1-17H3