[(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] 3-phenylpropanoate

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] 3-phenylpropanoate 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] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic 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: C37H54O9 MolecularWeight: 642.81926

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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)CCC3=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)CCC3=CC=CC=C3)C)O)O

InChI

InChI=1S/C37H54O9/c1-7-29(39)26(4)35-30(44-35)23-36(5,42)20-11-12-24(2)34-25(3)15-17-31(37(6,43)21-19-28(38)22-33(41)46-34)45-32(40)18-16-27-13-9-8-10-14-27/h8-15,17,20,25-26,28-31,34-35,38-39,42-43H,7,16,18-19,21-23H2,1-6H3/b17-15-,20-11+,24-12+