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beta-Rotunol
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
alpha-Rotunol
1 reference
based on heuristic
inferred from SMILES
(6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)-5,6,7,8-tetrahydro-1H-naphthalen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C(C)C2(O)CC(C(=C)C)CCC2(C)C1
0 references
isomeric SMILES
C=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
0 references
found in taxon
Cyperus rotundus
2 references
stated in
Structure and absolute configuration of α-rotunol and β-rotunol, sesquiterpenoids of Cyperus rotundus
stated in
Sesquiterpenoids from Cyperus rotundus
Identifiers
InChI
InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15+/m1/s1
0 references
InChIKey
WDFLKCAWQQMJCA-SNPRPXQTSA-N
0 references
PubChem CID
5321005
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WDFLKCAWQQMJCA-SNPRPXQTSA-N
UniChem compound ID
58720857
1 reference
stated in
UniChem
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