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(Q105265219)
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English
(4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-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
(4aR,5S,6S)-6-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
1 reference
based on heuristic
inferred from InChI
isopetasol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C2CCC(O)C(C)C2(C)CC1=C(C)C
0 references
isomeric SMILES
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C
0 references
found in taxon
Picea rubens
1 reference
stated in
Secondary metabolites from anti-insect extracts of endophytic fungi isolated from Picea rubens.
Identifiers
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1
0 references
InChIKey
TVDMUSYVWJLIDK-VZJVUDMVSA-N
0 references
PubChem CID
12311162
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TVDMUSYVWJLIDK-VZJVUDMVSA-N
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