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(Q82878894)
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English
(2,2,5a-Trimethyl-3,4,5,5a,6,7-hexahydro-2H-3,9a-methano-1-benzoxepin-9-yl)methanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
236.177630008
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₄O₂
0 references
canonical SMILES
CC1(C)OC23CC1CCC2(C)CCC=C3CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]12CCC=C([C@@]13C[C@@H](CC2)C(O3)(C)C)CO
0 references
Identifiers
InChI
InChI=1S/C15H24O2/c1-13(2)11-6-8-14(3)7-4-5-12(10-16)15(14,9-11)17-13/h5,11,16H,4,6-10H2,1-3H3/t11-,14+,15+/m1/s1
0 references
InChIKey
JDBYBUVTDVWOAW-UGFHNGPFSA-N
0 references
CAS Registry Number
105013-74-9
0 references
PubChem CID
128736
1 reference
matched by identifier from
InChIKey
InChIKey
JDBYBUVTDVWOAW-UGFHNGPFSA-N
UniChem compound ID
33265590
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50909296
1 reference
matched by identifier from
InChIKey
InChIKey
JDBYBUVTDVWOAW-UGFHNGPFSA-N
DSSTOX compound identifier
DTXCID901338360
0 references
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