[(4Z)-7-methoxy-3,7-dimethyl-2-[(2E,4E)-6-methyl-6-oxidanyl-7-[3-(3-oxidanylpentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-10-oxidanyl-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cyclohexylpiperazine-1-carboxylate

Systemtic Name: [(4Z)-7-methoxy-3,7-dimethyl-2-[(2E,4E)-6-methyl-6-oxidanyl-7-[3-(3-oxidanylpentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-10-oxidanyl-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cyclohexylpiperazine-1-carboxylate Openeye Name: [(4Z)-10-hydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7-methoxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cyclohexylpiperazine-1-carboxylate CAS Name: 4-cyclohexyl-1-piperazinecarboxylic acid [(4Z)-10-hydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-7-methoxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-10-hydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7-methoxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cyclohexylpiperazine-1-carboxylate Traditional Name: 4-cyclohexylpiperazine-1-carboxylic acid [(4Z)-10-hydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-7-methoxy-3,7-dimethyl-1-oxacyclododec-4-en-6-yl] ester Formula: C40H66N2O9 MolecularWeight: 718.96004

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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)OC)OC(=O)N3CCN(CC3)C4CCCCC4)C)O)O

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)OC)OC(=O)N3CCN(CC3)C4CCCCC4)C)O)O

InChI

InChI=1S/C40H66N2O9/c1-8-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48-7)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47H,8-11,14-15,18,20-26H2,1-7H3/b17-16-,19-12+,27-13+