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(Q104973955)
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English
1-[(2R,3'R,6'S)-3'-hydroxy-2',2',6'-trimethylspiro[3H-1-benzofuran-2,1'-cyclohexane]-5-yl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3'-hydroxy-2',2',6'-trimethylspiro[3H-1-benzofuran-2,1'-cyclohexane]-5-yl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
288.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄O₃
0 references
canonical SMILES
O=C(C1=CC=C2OC3(CC2=C1)C(C)CCC(O)C3(C)C)C
0 references
isomeric SMILES
CC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](O)C1(C)C
0 references
found in taxon
Heliotropium taltalense
1 reference
stated in
Chemical analysis of the resinous exudate isolated from Heliotropium taltalense and evaluation of the antioxidant activity of the phenolics components and the resin in homogeneous and heterogeneous systems.
Identifiers
InChI
InChI=1S/C18H24O3/c1-11-5-8-16(20)17(3,4)18(11)10-14-9-13(12(2)19)6-7-15(14)21-18/h6-7,9,11,16,20H,5,8,10H2,1-4H3/t11-,16+,18+/m0/s1
0 references
InChIKey
DATNQPSGIFVQCG-LIXBPZJASA-N
0 references
PubChem CID
162962345
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DATNQPSGIFVQCG-LIXBPZJASA-N
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