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(Q82963684)
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English
1,7-Dimethyl-5-(3,4,5-trimethoxyphenyl)-2-oxabicyclo[2.2.2]octan-3-one
group of stereoisomers with the chemical formula C₁₈H₂₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
320.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc(C2CC3(C)OC(=O)C2CC3C)cc(OC)c1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cc([C@@H]2CC3(C)OC(=O)C2CC3C)cc(OC)c1OC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H24O5/c1-10-6-12-13(9-18(10,2)23-17(12)19)11-7-14(20-3)16(22-5)15(8-11)21-4/h7-8,10,12-13H,6,9H2,1-5H3/t10?,12?,13-,18?/m0/s1
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InChIKey
BFQBLOYFZKCMNH-SSHNXMEZSA-N
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CAS Registry Number
6271-72-3
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PubChem CID
235422
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62186020
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40978335
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DSSTOX compound identifier
DTXCID701405654
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NSC number
36790
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