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(Q105190856)
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English
(2,4,7-Trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₉NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cyclopenta[c]pyridine alkaloid
1 reference
inferred from
cyclopenta[c]pyridine alkaloid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
359.20965840799994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₉NO₄
0 references
canonical SMILES
O=C(OC1CC2C(C)CN(C)CC2C1C)C=CC3=CC=C(O)C(OC)=C3
0 references
Identifiers
InChI
InChI=1S/C21H29NO4/c1-13-11-22(3)12-17-14(2)19(10-16(13)17)26-21(24)8-6-15-5-7-18(23)20(9-15)25-4/h5-9,13-14,16-17,19,23H,10-12H2,1-4H3
0 references
InChIKey
OFDLBJAQGFWTKC-UHFFFAOYSA-N
0 references
PubChem CID
72757275
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OFDLBJAQGFWTKC-UHFFFAOYSA-N
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