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(Q105205506)
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English
(1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
thujane monoterpenoid
0 references
mass
194.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate, (1alpha,3beta,5alpha)-
1 reference
based on heuristic
inferred from InChIKey
trans-sabinyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₂
0 references
canonical SMILES
O=C(OC1C(=C)C2CC2(C1)C(C)C)C
0 references
isomeric SMILES
C=C1[C@@H](OC(C)=O)C[C@]2(C(C)C)C[C@H]12
0 references
found in taxon
Anthriscus sylvestris
1 reference
stated in
Studies on the Constituents of Anthriscus sylvestris HOFFM. II. On the Components of the Flowers and Leaves
Identifiers
InChI
InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11+,12+/m1/s1
0 references
InChIKey
PBWRFXQNNGSAQG-WOPDTQHZSA-N
0 references
PubChem CID
91699466
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-WOPDTQHZSA-N
UniChem compound ID
100472661
1 reference
stated in
UniChem
KNApSAcK ID
C00059842
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-WOPDTQHZSA-N
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