propan-2-yl (E)-7-[(1S,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(2S)-2-oxidanyl-4-phenyl-butoxy]cyclopentyl]hept-5-enoate

Systemtic Name: propan-2-yl (E)-7-[(1S,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(2S)-2-oxidanyl-4-phenyl-butoxy]cyclopentyl]hept-5-enoate Openeye Name: isopropyl (E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2S)-2-hydroxy-4-phenyl-butoxy]cyclopentyl]hept-5-enoate CAS Name: (E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2S)-2-hydroxy-4-phenylbutoxy]cyclopentyl]-5-heptenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2S)-2-hydroxy-4-phenylbutoxy]cyclopentyl]hept-5-enoate Traditional Name: (E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2S)-2-hydroxy-4-phenyl-butoxy]cyclopentyl]hept-5-enoic acid isopropyl ester Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCC=CCC1C(CC(C1OCC(CCC2=CC=CC=C2)O)O)O

Isomeric SMILES

CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1OC[C@H](CCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C25H38O6/c1-18(2)31-24(29)13-9-4-3-8-12-21-22(27)16-23(28)25(21)30-17-20(26)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,18,20-23,25-28H,4,9,12-17H2,1-2H3/b8-3+/t20-,21-,22-,23+,25+/m0/s1