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(Q105027639)
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English
(2R,3S,6S)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylcyclohexan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-isopropyl-3-methyl-2-(3-oxobutyl)cyclohexan-1-one
1 reference
based on heuristic
inferred from SMILES
mass
224.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₄O₂
0 references
canonical SMILES
O=C(C)CCC1C(=O)C(CCC1C)C(C)C
0 references
isomeric SMILES
CC(=O)CC[C@H]1C(=O)[C@H](C(C)C)CC[C@@H]1C
0 references
found in taxon
Cupressus bakeri
1 reference
stated in
cis-calamenene-related sesquiterpenoids from Cupressus bakeri foliage
Hesperocyparis bakeri
1 reference
stated in
cis-calamenene-related sesquiterpenoids from Cupressus bakeri foliage
Identifiers
InChI
InChI=1S/C14H24O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12-,13+/m0/s1
0 references
InChIKey
HFYPDKJHTWHBIY-WCFLWFBJSA-N
0 references
PubChem CID
11085451
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HFYPDKJHTWHBIY-WCFLWFBJSA-N
UniChem compound ID
34425029
1 reference
stated in
UniChem
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