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(Q105003195)
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English
[(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] 3-methylbutanoate
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) 3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
330.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₄
0 references
canonical SMILES
O=C1C=2OC=C(C2C(OC(=O)CC(C)C)C3(C1=CCCC3C)C)C
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isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@H]1C)C2=O
0 references
found in taxon
Roldana aschenborniana
1 reference
stated in
Eremophilane derivatives and other constituents from Mexican Senecio species
Dendrophorbium balsapampae
1 reference
stated in
Seven furanoeremophilanes from three Senecio species
Senecio macrotis
1 reference
stated in
Seco-eremophilanolides from Senecio macrotis
Trixis anomala
1 reference
stated in
Eremophilane derivatives and other constituents from Mexican Senecio species
Identifiers
InChI
InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1
0 references
InChIKey
FWENKENVKHNNFP-CJMONDIMSA-N
0 references
PubChem CID
14287053
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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