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(Q82562702)
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English
(1S,2S,5R)-2-Methyl-5-(propan-2-yl)cyclohex-3-ene-1,2-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
1 reference
based on heuristic
inferred from SMILES
mass
170.130679816
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
1-Methyl-4beta-isopropyl-5-cyclohexene-1alpha,2alpha-diol
1 reference
based on heuristic
inferred from InChI
(1S,2S,5S)-2-methyl-5-propan-2-ylcyclohex-3-ene-1,2-diol
1 reference
based on heuristic
inferred from InChI
(1R)-1-Methyl-4beta-isopropyl-5-cyclohexene-1beta,2alpha-diol
1 reference
based on heuristic
inferred from InChI
(1S,2R,5S)-2-methyl-5-propan-2-ylcyclohex-3-ene-1,2-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈O₂
0 references
canonical SMILES
CC(C)C1C=CC(C)(O)C(O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@H]1C[C@@H]([C@@](C=C1)(C)O)O
0 references
Identifiers
InChI
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h4-5,7-9,11-12H,6H2,1-3H3/t8-,9+,10+/m1/s1
0 references
InChIKey
YRHFOCFOBZVGPU-UTLUCORTSA-N
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CAS Registry Number
4031-52-1
0 references
PubChem CID
26176658
1 reference
matched by identifier from
InChIKey
InChIKey
YRHFOCFOBZVGPU-UTLUCORTSA-N
UniChem compound ID
13761447
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30649825
1 reference
matched by identifier from
InChIKey
InChIKey
YRHFOCFOBZVGPU-UTLUCORTSA-N
DSSTOX compound identifier
DTXCID10600575
0 references
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