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(Q82970412)
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English
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Angelicoidenol
1 reference
based on heuristic
inferred from SMILES
Bornane-2alpha,5beta-diol
1 reference
based on heuristic
inferred from SMILES
1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol
1 reference
based on heuristic
inferred from SMILES
mass
170.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (1R,2S,4R,5R)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈O₂
0 references
canonical SMILES
OC1CC2(C)C(O)CC1C2(C)C
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isomeric SMILES
C[C@]12C[C@@H]([C@H](C1(C)C)C[C@H]2O)O
0 references
found in taxon
Salvia chinensis
1 reference
stated in
New germacrane sesquiterpenes from Salvia chinensis
Heliopsis longipes
1 reference
stated in
Minor alkamides from Heliopsis longipes S.F. Blake (Asteraceae) fresh roots
Identifiers
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10-/m1/s1
0 references
InChIKey
HLVIHBJQDKVEAL-IBCQBUCCSA-N
0 references
CAS Registry Number
64911-68-8
0 references
PubChem CID
182459
0 references
UniChem compound ID
59401294
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30983493
0 references
DSSTOX compound identifier
DTXCID201410729
0 references
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