3-methyl-3-oxidanyl-5-oxidanylidene-5-[[(1S,2R,6S)-2-oxidanyl-5-oxidanylidene-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]pentanoic acid

Systemtic Name: 3-methyl-3-oxidanyl-5-oxidanylidene-5-[[(1S,2R,6S)-2-oxidanyl-5-oxidanylidene-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]pentanoic acid Openeye Name: 3-hydroxy-5-[[(1S,2R,6S)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-methyl-5-oxo-pentanoic acid CAS Name: 3-hydroxy-5-[[(1S,2R,6S)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-methyl-5-oxopentanoic acid IUPAC Name: 3-hydroxy-5-[[(1S,2R,6S)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-methyl-5-oxopentanoic acid Traditional Name: 3-hydroxy-5-[[(1S,2R,6S)-2-hydroxy-5-keto-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-5-keto-3-methyl-valeric acid Formula: C28H40O8 MolecularWeight: 504.6124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/C[C@@]12[C@@H](O1)[C@@H](C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)O)/C)/C)C

InChI

InChI=1S/C28H40O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,25-26,33-34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t25-,26+,27?,28-/m1/s1