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(Q105161305)
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English
(4S,5S,8S,8aS)-4-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-hydroxy-1,4-dimethyl-7-(prop-1-en-2-yl)-3a,4,5,6,7,8-hexahydro-3H-azulen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Hydroxyisopatchoulenone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C(=C2C(O)C(C(=C)C)CCC(C)C2C1)C
0 references
isomeric SMILES
C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2[C@H]1O
0 references
found in taxon
Pleocarphus revolutus
1 reference
stated in
New sesquiterpenes from Pleocarphus revolutus
Identifiers
InChI
InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)12-7-13(16)10(4)14(12)15(11)17/h9,11-12,15,17H,1,5-7H2,2-4H3/t9-,11-,12-,15-/m0/s1
0 references
InChIKey
MCNAURNYDFSEML-OXUWNYNTSA-N
0 references
PubChem CID
162986838
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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