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(Q105217469)
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English
[(1R,4Z,9S,11S)-11-(hydroxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[11-(Hydroxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
292.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4Z,9R,11S)-11-(hydroxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4E,9R,11R)-11-(hydroxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,4Z,9S,11R)-11-(hydroxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₄
0 references
canonical SMILES
O=C(OCC1=CCCC(=C)C2CC(C)(CO)C2CC1=O)C
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isomeric SMILES
C=C1CC/C=C(/COC(C)=O)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)CO
0 references
found in taxon
Inula spiraeifolia
1 reference
stated in
Two-dimensional NMR spectra of sesquiterpenes. I—NOESY study of caryophyllenes fromInula spiraeifolia
Pulicaria arabica
1 reference
stated in
Caryophyllene derivatives from Pulicaria arabica
Pentanema spiraeifolium
1 reference
stated in
Two-dimensional NMR spectra of sesquiterpenes. I—NOESY study of caryophyllenes fromInula spiraeifolia
Identifiers
InChI
InChI=1S/C17H24O4/c1-11-5-4-6-13(9-21-12(2)19)16(20)7-15-14(11)8-17(15,3)10-18/h6,14-15,18H,1,4-5,7-10H2,2-3H3/b13-6-/t14-,15-,17-/m1/s1
0 references
InChIKey
QAJQSFVKZGNURU-MWLSZEGLSA-N
0 references
PubChem CID
15601256
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QAJQSFVKZGNURU-MWLSZEGLSA-N
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