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lactucopicrin

Go to external page http://purl.obolibrary.org/obo/CHEBI_90275

Term info

Label

lactucopicrin

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

2_STAR

IUPAC NAME
(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-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

C23H22O7

has obo namespace

chebi_ontology

has related synonym

Lactopicrin, Lactupicrin, (+)-Lactucopicrin

id

CHEBI:90275

inchi

InChI=1S/C23H22O7/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/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1

inchikey

UMVSOHBRAQTGQI-XGARDCMYSA-N

mass

410.417

monoisotopicmass

410.13655

smiles

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