[(4Z)-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]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] benzoate

Systemtic Name: [(4Z)-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]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] benzoate Openeye Name: [(4Z)-7,10-dihydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] benzoate CAS Name: benzoic acid [(4Z)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] benzoate Traditional Name: benzoic acid [(4Z)-7,10-dihydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-3,7-dimethyl-1-oxacyclododec-4-en-6-yl] ester Formula: C35H50O9 MolecularWeight: 614.7661

Click to see the large picture

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)C3=CC=CC=C3)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)O)OC(=O)C3=CC=CC=C3)C)O)O

InChI

InChI=1S/C35H50O9/c1-7-27(37)24(4)32-28(42-32)21-34(5,40)18-11-12-22(2)31-23(3)15-16-29(43-33(39)25-13-9-8-10-14-25)35(6,41)19-17-26(36)20-30(38)44-31/h8-16,18,23-24,26-29,31-32,36-37,40-41H,7,17,19-21H2,1-6H3/b16-15-,18-11+,22-12+