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(Q125029738)
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benzyl n-eicosanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
378.167853172
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₇
0 references
canonical SMILES
O=C1OC2C(C1=C)CC(O)C(OC(=O)CC(C)C)(C)C34OOC(C=C3)(C)C24
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)CC(C)C)[C@@]13C=C[C@@](C)(OO1)[C@H]23
0 references
found in taxon
Achillea millefolium
1 reference
stated in
Peroxide als Pflanzeninhaltsstoffe, 14. Mitt.: Über weitere Guaianolid-Peroxide aus der Schafgarbe,Achillea millefolium L.
Achillea distans
1 reference
stated in
Terpenoids from Achillea distans Waldst. & Kit. ex Willed
Identifiers
InChI
InChI=1S/C20H26O7/c1-10(2)8-14(22)25-19(5)13(21)9-12-11(3)17(23)24-15(12)16-18(4)6-7-20(16,19)27-26-18/h6-7,10,12-13,15-16,21H,3,8-9H2,1-2,4-5H3/t12-,13+,15-,16-,18+,19+,20-/m0/s1
0 references
InChIKey
ZQTWAASWTVPCPV-HBBIZSTPSA-N
0 references
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