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(Q76809735)
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Fukinolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
[(2R,3aR,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
390.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Bakkenolide B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₆
0 references
canonical SMILES
O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(OC(=O)C)C12)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)/C(=O)O[C@H]1CC[C@@H]([C@@]2([C@H]1[C@H]([C@@]3(C2)C(=C)COC3=O)OC(=O)C)C)C
0 references
found in taxon
Petasites japonicus
1 reference
stated in
The Structural Elucidation of Sesquiterpene Lactones fromPetasites japonicusMaxim
Petasites tricholobus
1 reference
stated in
Chemical constituents of Swertia kouitchensis Franch.
Identifiers
InChI
InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+/t13-,16-,17+,18+,21+,22+/m0/s1
0 references
InChIKey
AVAGQVZSHJYDED-NWAIQIOLSA-N
0 references
PubChem CID
101289733
0 references
UniChem compound ID
97847096
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035206
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AVAGQVZSHJYDED-NWAIQIOLSA-N
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