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(Q82769834)
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English
(7R)-7-(2-Methoxyphenyl)-1,7-diphenylbicyclo[2.2.1]heptane
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
354.198365452
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(7S)-7-(2-Methoxyphenyl)-1,7-diphenylbicyclo[2.2.1]heptane
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₂₆O
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canonical SMILES
COc1ccccc1C1(c2ccccc2)C2CCC1(c1ccccc1)CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC=CC=C1[C@]2(C3CCC2(CC3)C4=CC=CC=C4)C5=CC=CC=C5
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Identifiers
InChI
InChI=1S/C26H26O/c1-27-24-15-9-8-14-23(24)26(21-12-6-3-7-13-21)22-16-18-25(26,19-17-22)20-10-4-2-5-11-20/h2-15,22H,16-19H2,1H3/t22?,25?,26-/m1/s1
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InChIKey
AOXKFFRCCWMURI-TXDAUAKNSA-N
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CAS Registry Number
656260-01-4
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PubChem CID
71375531
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UniChem compound ID
60067406
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90798267
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DSSTOX compound identifier
DTXCID70749010
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