decanoic acid; (11Z,13E)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-5,9,13-trimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Systemtic Name: decanoic acid; (11Z,13E)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-5,9,13-trimethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: decanoic acid; (11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[2-(3,5-dimethyl-1-piperidyl)ethyl]-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: decanoic acid; (11Z,13E)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-7-[2-(3,5-dimethyl-1-piperidinyl)ethyl]-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: decanoic acid; (11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: capric acid; (11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[2-(3,5-dimethylpiperidino)ethyl]-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C56H100N2O15 MolecularWeight: 1041.3976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC

Isomeric SMILES

CCCCCCCCCC(=O)O.CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)\C)COC4C(C(C(C(O4)C)O)OC)OC

InChI

InChI=1S/C46H80N2O13.C10H20O2/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-2-3-4-5-6-7-8-9-10(11)12/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;2-9H2,1H3,(H,11,12)/b15-14-,25-19+;