(-)-dehydrodiconiferyl acid carboxylate

Chemical Formula:

C₂₀H₁₆O₈

Molecular Weight:

384.342 Daltons

Monoisotopic Mass:

386.1001675546 Daltons

SMILES:

COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(C([O-])=O)2)C=C(C=CC([O-])=O)C=C(OC)3)))

InChI:

1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/p-2/b6-3+/t17-,18+/m1/s1

InChIKey:

JTHPLBUVRLOJBB-VCPQXCNPSA-L

Synonyms

(-)-DCA-CC
(2R,3R)-5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate

Databases

MetaCyc: CPD-17079

ChEBI: 131934

PubChem (CID): 90658929

MetaNetX: MNXM117360