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(Q105375351)
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English
[(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
328.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Epineoadenostylone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Neoadenostylone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄O₄
0 references
canonical SMILES
O=C(OC1C2=C(OC=C2C)C(=O)C3=CCCC(C)C31C)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C
0 references
found in taxon
Cacalia adenostyloides
1 reference
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
Senecio macrotis
1 reference
stated in
Seco-eremophilanolides from Senecio macrotis
Parasenecio adenostyloides
1 reference
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
Identifiers
InChI
InChI=1S/C20H24O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,9-10,13,18H,7-8H2,1-5H3/b11-6+/t13-,18+,20+/m0/s1
0 references
InChIKey
ZGPJMFUBGMSEDV-NYXXMEGPSA-N
0 references
PubChem CID
162939848
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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