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(Q81988445)
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English
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, acetate, (3S,6Z)-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
farnesane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
264.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC(C)(CCC=C(C)CCC=C(C)C)OC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12-/t17-/m1/s1
0 references
InChIKey
PRNJXUQTUSFYLV-MLRPBERTSA-N
0 references
CAS Registry Number
56001-43-5
1 reference
InChIKey
PRNJXUQTUSFYLV-MLRPBERTSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=56001-43-5
PubChem CID
6434513
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-MLRPBERTSA-N
UniChem compound ID
46464226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501009866
1 reference
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-MLRPBERTSA-N
DSSTOX compound identifier
DTXCID701436300
0 references
FL number
09.671
1 reference
quotation
CAS no.: 56001-43-5
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.671
KNApSAcK ID
C00062213
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PRNJXUQTUSFYLV-MLRPBERTSA-N
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