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English
Kessoglycol diacetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
338.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₀O₅
0 references
canonical SMILES
O=C(OC1CC(C)C2CC3CC(OC(=O)C)C(OC3(C)C)(C)C12)C
0 references
isomeric SMILES
C[C@@H]1C[C@H]([C@@H]2[C@@H]1C[C@H]3C[C@@H]([C@]2(OC3(C)C)C)OC(=O)C)OC(=O)C
0 references
found in taxon
Valeriana fauriei
1 reference
stated in
Antidepressant principles of Valeriana fauriei roots
Valeriana officinalis
3 references
stated in
Antidepressant principles of Valeriana fauriei roots
stated in
A guaiane-type sesquiterpene, valeracetate from Valeriana officinalis
stated in
The biological activity of Valerian and related plants
Identifiers
InChI
InChI=1S/C19H30O5/c1-10-7-15(22-11(2)20)17-14(10)8-13-9-16(23-12(3)21)19(17,6)24-18(13,4)5/h10,13-17H,7-9H2,1-6H3/t10-,13+,14-,15-,16+,17+,19-/m1/s1
0 references
InChIKey
YPCIAFXRRZBUAF-AWNRREFMSA-N
0 references
CAS Registry Number
13835-51-3
0 references
PubChem CID
166927
1 reference
matched by identifier from
InChIKey
InChIKey
YPCIAFXRRZBUAF-AWNRREFMSA-N
UniChem compound ID
46273489
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20930072
1 reference
matched by identifier from
InChIKey
InChIKey
YPCIAFXRRZBUAF-AWNRREFMSA-N
DSSTOX compound identifier
DTXCID001358808
0 references
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