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(Q105311121)
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English
(1R,3R,4S,7S)-3-hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Obtunone
1 reference
based on heuristic
inferred from InChI
(1S,3S,4R,7R)-3-hydroxy-3-methyl-7-(6-methylhepta-1,5-dien-2-yl)-6-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C1C2C(=CC(CC2C(=C)CCC=C(C)C)C1(O)C)C(C)C
0 references
isomeric SMILES
C=C(CCC=C(C)C)[C@H]1C[C@H]2C=C(C(C)C)[C@@H]1C(=O)[C@]2(C)O
0 references
found in taxon
Chamaecyparis obtusa var. formosana
1 reference
stated in
Novel diterpenes from the heartwood of Chamaecyparis obtusa var. formosana
Chamaecyparis obtusa
1 reference
stated in
Novel diterpenes from the heartwood of Chamaecyparis obtusa var. formosana
Identifiers
InChI
InChI=1S/C20H30O2/c1-12(2)8-7-9-14(5)17-11-15-10-16(13(3)4)18(17)19(21)20(15,6)22/h8,10,13,15,17-18,22H,5,7,9,11H2,1-4,6H3/t15-,17-,18+,20-/m1/s1
0 references
InChIKey
WRAJYVCWLBXQEW-PHXBYCTMSA-N
0 references
PubChem CID
162857080
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WRAJYVCWLBXQEW-PHXBYCTMSA-N
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