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(Q105346781)
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English
[(3aS,5S,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-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
0 references
canonical SMILES
O=C1OC2C=C(C)CCC=C(C)C(OC(=O)CC(C)C)CC2C1=C
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isomeric SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)CC(C)C)C[C@@H]12
0 references
found in taxon
Inula helenium
1 reference
stated in
New sesquiterpene lactones from Inula species
Schistostephium heptalobum
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Identifiers
InChI
InChI=1S/C20H28O4/c1-12(2)9-19(21)23-17-11-16-15(5)20(22)24-18(16)10-13(3)7-6-8-14(17)4/h8,10,12,16-18H,5-7,9,11H2,1-4H3/b13-10+,14-8+/t16-,17-,18+/m0/s1
0 references
InChIKey
YDKFFCLOGJQHFQ-PDBBIANGSA-N
0 references
PubChem CID
162926404
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDKFFCLOGJQHFQ-PDBBIANGSA-N
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