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(Q82972625)
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English
Benzoic acid, 4-hydroxy-, decahydro-6-hydroxy-1a,6-dimethyl-3-(1-methylethyl)azuleno(1,2-b)oxiren-4-yl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C(OC1CC(O)(C)C2CC3OC3(C)C2CC1C(C)C)C4=CC=C(O)C=C4
0 references
found in taxon
Ferula kuhistanica
1 reference
stated in
Esters ofFerula kuhistanica
Ferula tenuisecta
1 reference
stated in
Investigation of natural compounds by the HPLC method I. Microcolumn HPLC separation of esters of carotane alcohols from the roots of Ferula tenuisecta
Identifiers
InChI
InChI=1S/C22H30O5/c1-12(2)15-9-17-16(10-19-22(17,4)27-19)21(3,25)11-18(15)26-20(24)13-5-7-14(23)8-6-13/h5-8,12,15-19,23,25H,9-11H2,1-4H3
0 references
InChIKey
LFGRJALZHUSPNM-UHFFFAOYSA-N
0 references
CAS Registry Number
66559-24-8
0 references
PubChem CID
14391700
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LFGRJALZHUSPNM-UHFFFAOYSA-N
UniChem compound ID
57123438
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00985161
1 reference
matched by identifier from
InChIKey
InChIKey
LFGRJALZHUSPNM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801412361
0 references
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