(2S,3S)-2,3-dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxymethyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.
Also appears inslm
Exact Synonyms
4-{(2S,3S)-3-(hydroxymethyl)-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol
class Information
charge
0
formula
C18H18O3
has_dbxref
- PMID:21800856
- Reaxys:6419322
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C18H18O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-10,16,18-20H,11H2,1H3/b3-2+/t16-,18-/m1/s1
inchikey
OGRAMAAKQPETEE-OTUKTJHOSA-N
in_subset
mass
282.33370
monoisotopicmass
282.12559
smiles
C\C=C\c1ccc2O[C@@H]([C@H](CO)c2c1)c1ccc(O)cc1