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(Q105282840)
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English
[(2R,5R,8S,8aR)-5-hydroxy-8,8a-dimethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5-Hydroxy-8,8a-dimethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
252.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀O₄
0 references
canonical SMILES
O=C(OC1C(=O)C=C2C(O)CCC(C)C2(C)C1)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](O)CC[C@@H]2C
0 references
found in taxon
Ligularia sagitta
1 reference
stated in
A New Triterpene and New Sesquiterpenes from the Roots ofLigularia sagitta
Identifiers
InChI
InChI=1S/C14H20O4/c1-8-4-5-11(16)10-6-12(17)13(18-9(2)15)7-14(8,10)3/h6,8,11,13,16H,4-5,7H2,1-3H3/t8-,11+,13+,14+/m0/s1
0 references
InChIKey
VALKJGMEKDUNBP-UBVLEBKSSA-N
0 references
PubChem CID
162934284
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VALKJGMEKDUNBP-UBVLEBKSSA-N
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