[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] propanoate

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] propanoate 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] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic 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: C49H86N2O17 MolecularWeight: 975.21034

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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)CC)(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)CC)(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/C49H86N2O17/c1-18-34-49(13,59)41(57)27(6)37(54)24(3)22-47(11,68-46-39(56)33(51(16)17)21-26(5)61-46)42(66-45-38(55)32(50(14)15)20-25(4)60-45)28(7)40(29(8)44(58)63-34)65-36-23-48(12,67-31(10)52)43(30(9)62-36)64-35(53)19-2/h24-30,32-34,36,38-43,45-46,55-57,59H,18-23H2,1-17H3