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Petasinone C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eremophilane sesquiterpenoid
0 references
mass
318.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Petasinone B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₆O₄
0 references
canonical SMILES
O=C(OC1CCC2=CC(=O)C(=C(C)C)CC2(C)C1C)C=COC
0 references
isomeric SMILES
CO/C=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C
0 references
found in taxon
Petasites formosanus
1 reference
stated in
Eremophilanes from Petasites formosanus KITAMURA.
Identifiers
InChI
InChI=1S/C19H26O4/c1-12(2)15-11-19(4)13(3)17(23-18(21)8-9-22-5)7-6-14(19)10-16(15)20/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+/m0/s1
0 references
InChIKey
XDAKULHDDVMADA-XAPFYCCESA-N
0 references
PubChem CID
10639271
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDAKULHDDVMADA-XAPFYCCESA-N
UniChem compound ID
32594064
1 reference
stated in
UniChem
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