[(4Z)-3,7-dimethyl-2-[(2E,4E)-6-methyl-7-[3-[3-(phenylcarbonyloxy)pentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [(4Z)-3,7-dimethyl-2-[(2E,4E)-6-methyl-7-[3-[3-(phenylcarbonyloxy)pentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [(4Z)-2-[(1E,3E)-6-[3-(2-benzoyloxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [(4Z)-2-[(2E,4E)-7-[3-(3-benzoyloxypentan-2-yl)-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-2-[(2E,4E)-7-[3-(3-benzoyloxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [(4Z)-2-[(1E,3E)-6-[3-(2-benzoyloxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7,10-dihydroxy-12-keto-3,7-dimethyl-1-oxacyclododec-4-en-6-yl] ester Formula: C41H60N2O9 MolecularWeight: 724.9231

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C(C)C1C(O1)CC(C)/C=C/C=C(\C)/C2C(/C=C\C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C41H60N2O9/c1-8-33(50-39(46)31-15-10-9-11-16-31)30(5)38-34(49-38)25-27(2)13-12-14-28(3)37-29(4)17-18-35(51-40(47)43-23-21-42(7)22-24-43)41(6,48)20-19-32(44)26-36(45)52-37/h9-18,27,29-30,32-35,37-38,44,48H,8,19-26H2,1-7H3/b13-12+,18-17-,28-14+