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English
Phenol, 2-methoxy-5-[(1R,2S,4R,6S)-5,5,6-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
260.177630008
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
2-methoxy-5-[(1S,2R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₂
0 references
canonical SMILES
COc1ccc(C2CC3CC2C(C)C3(C)C)cc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1[C@H]2C[C@@H](C1(C)C)C[C@@H]2C3=CC(=C(C=C3)OC)O
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Identifiers
InChI
InChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-16(19-4)15(18)7-11/h5-7,10,12-14,18H,8-9H2,1-4H3/t10-,12+,13+,14+/m0/s1
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InChIKey
HOWLDRFFEKSVNK-IGHBBLSQSA-N
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CAS Registry Number
13746-57-1
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PubChem CID
21119680
1 reference
matched by identifier from
InChIKey
InChIKey
HOWLDRFFEKSVNK-IGHBBLSQSA-N
UniChem compound ID
66467629
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90884639
1 reference
matched by identifier from
InChIKey
InChIKey
HOWLDRFFEKSVNK-IGHBBLSQSA-N
DSSTOX compound identifier
DTXCID201024069
0 references
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