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(Q105307998)
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English
(3aS,5aS,8S,9bS)-8-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-hydroxy-5a,9-dimethyl-3-methylidene-3aH,4H,5H,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2C3=C(C)C(O)CCC3(C)CCC2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](O)CC[C@]3(C)CC[C@@H]12
0 references
found in taxon
Cichorium endivia
1 reference
stated in
Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity
Cichorium intybus
1 reference
stated in
Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h10-11,13,16H,1,4-7H2,2-3H3/t10-,11-,13-,15-/m0/s1
0 references
InChIKey
WLJQSNNKIQSGBT-UHXUCMFUSA-N
0 references
PubChem CID
11459313
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WLJQSNNKIQSGBT-UHXUCMFUSA-N
UniChem compound ID
32419751
1 reference
stated in
UniChem
KNApSAcK ID
C00054228
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WLJQSNNKIQSGBT-UHXUCMFUSA-N
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