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(Q82954955)
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English
alpha-Liriodenolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Ludalbin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3aR,4S,5aR,6S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2C(C1=C)C(OC(=O)C)CC3(C)C(O)CC=C(C)C23
0 references
isomeric SMILES
CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H]([C@@H](C2)OC(=O)C)C(=C)C(=O)O3)C)O
0 references
found in taxon
Liriodendron tulipifera
2 references
stated in
Phenylpropanoids, Sesquiterpenes, and Alkaloids from the Seeds of Liriodendron tulipifera
stated in
Six Additional Sesquiterpene Lactones From Liriodendron tulipifera
Identifiers
InChI
InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h5,11-15,19H,2,6-7H2,1,3-4H3/t11-,12-,13-,14-,15+,17+/m1/s1
0 references
InChIKey
AKSKHQQIZQNYLX-MMCSFCSJSA-N
0 references
CAS Registry Number
56064-70-1
0 references
PubChem CID
185837
1 reference
matched by identifier from
InChIKey
InChIKey
AKSKHQQIZQNYLX-MMCSFCSJSA-N
UniChem compound ID
57716550
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40971442
1 reference
matched by identifier from
InChIKey
InChIKey
AKSKHQQIZQNYLX-MMCSFCSJSA-N
DSSTOX compound identifier
DTXCID601398955
0 references
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