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(Q105339113)
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English
[(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[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-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
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canonical SMILES
O=C(OC1C2=C(OC=C2C)C(=O)C3CCCC(C)C13C)CC(C)C
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isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@H]1C2=O
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found in taxon
Senecio umbellatus
1 reference
stated in
Natürlich vorkommende Terpen-Derivate, XLI. Über neue Sesquiterpene der GattungSenecio
Pittocaulon velatum
1 reference
stated in
Seco-eremophiladiolides and eremophilane glucosides from Pittocaulon velatum
Senecio macrotis
1 reference
stated in
Seco-eremophilanolides from Senecio macrotis
Zemisia discolor
1 reference
stated in
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
Identifiers
InChI
InChI=1S/C20H28O4/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/h10-11,13-14,19H,6-9H2,1-5H3/t13-,14-,19+,20+/m0/s1
0 references
InChIKey
XPYNVQSTCNQPNQ-AFHBHXEDSA-N
0 references
PubChem CID
15627964
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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