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(Q105141148)
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English
(9R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
[3-(hydroxymethyl)-6,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₅
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canonical SMILES
O=C1OC2C=C(C)C(OC(=O)C)CC=C(C)CCC2=C1CO
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isomeric SMILES
CC(=O)O[C@@H]1C/C=C(\C)CCC2=C(CO)C(=O)O[C@@H]2/C=C/1C
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found in taxon
Pentzia eenii
1 reference
stated in
Glaucolides, fulvenoguaianolides and other sesquiterpene lactones from Pentzia species
Ursinia nana
1 reference
stated in
Sesquiterpene lactones and other constituents from Ursinia species
Identifiers
InChI
InChI=1S/C17H22O5/c1-10-4-6-13-14(9-18)17(20)22-16(13)8-11(2)15(7-5-10)21-12(3)19/h5,8,15-16,18H,4,6-7,9H2,1-3H3/b10-5+,11-8+/t15-,16-/m1/s1
0 references
InChIKey
KHGWZYVQWFPLPX-CHFFZTQGSA-N
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