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11beta,13-dihydrolactucopicrin

Go to external page http://purl.obolibrary.org/obo/CHEBI_90283

A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.

Term info

Label

11beta,13-dihydrolactucopicrin

Synonyms
  • (3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate
  • 11beta,13-Dihydrolactucopicrin
database cross reference
Subsets

3_STAR

IUPAC NAME
(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate [ IUPAC ]

charge

0

formula

C23H24O7

has obo namespace

chebi_ontology

has related synonym

11,13-dihydrolactucopicrin

id

CHEBI:90283

inchi

InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1

inchikey

ICJJPTZLMALYBH-ZUQDHHQASA-N

mass

412.433

monoisotopicmass

412.15220

smiles

OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4