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(Q105369224)
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English
(1S,1'S,5R,5'S,9S)-6',6',10,10-tetramethylspiro[6-oxatricyclo[7.1.1.02,7]undec-2(7)-ene-5,2'-bicyclo[3.1.1]heptane]-3'-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,6,10',10'-tetramethyl-6'-oxaspiro[bicyclo[3.1.1]heptane-2,5'-tricyclo[7.1.1.0²,⁷]undecan]-2'(7')-en-3-one
1 reference
based on heuristic
inferred from SMILES
mass
300.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,1'R,5R,5'R,9R)-6',6',10,10-tetramethylspiro[6-oxatricyclo[7.1.1.02,7]undec-2(7)-ene-5,2'-bicyclo[3.1.1]heptane]-3'-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Cedronellone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₂
0 references
canonical SMILES
O=C1CC2CC(C31OC4=C(CC3)C5CC(C4)C5(C)C)C2(C)C
0 references
isomeric SMILES
CC1(C)[C@@H]2CC3=C(CC[C@]4(O3)C(=O)C[C@@H]3C[C@H]4C3(C)C)[C@H]1C2
0 references
found in taxon
Cedronella canariensis
1 reference
stated in
A dimer of d-pinocarvone from Cedronella canariensis
Chenopodium ambrosioides
1 reference
stated in
On the Essential Oil of Wild Chenopodium ambrosioides L. III
Dysphania ambrosioides
1 reference
stated in
On the Essential Oil of Wild Chenopodium ambrosioides L. III
Identifiers
InChI
InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3/t11-,12-,14+,16-,20+/m0/s1
0 references
InChIKey
YZHBEINUZQDPPT-DWEIISRSSA-N
0 references
PubChem CID
163009492
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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