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(Q105134862)
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English
[(2R)-2-[4-(acetyloxymethyl)-2-hydroxyphenyl]-2-hydroxypropyl] 2-methylpropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Isobutyric acid 2-hydroxy-2-[2-hydroxy-4-(acetoxymethyl)phenyl]propyl ester
1 reference
based on heuristic
inferred from SMILES
mass
310.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₆
0 references
canonical SMILES
O=C(OCC1=CC=C(C(O)=C1)C(O)(C)COC(=O)C(C)C)C
0 references
isomeric SMILES
CC(=O)OCc1ccc([C@@](C)(O)COC(=O)C(C)C)c(O)c1
0 references
found in taxon
Eupatorium fortunei
1 reference
stated in
Thymol derivatives from Eupatorium fortunei
Identifiers
InChI
InChI=1S/C16H22O6/c1-10(2)15(19)22-9-16(4,20)13-6-5-12(7-14(13)18)8-21-11(3)17/h5-7,10,18,20H,8-9H2,1-4H3/t16-/m0/s1
0 references
InChIKey
JTMPYXWQKWKIRR-INIZCTEOSA-N
0 references
PubChem CID
162981751
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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