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(Q105347798)
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English
Tetrapterol D
group of stereoisomers with the chemical formula C₂₅H₂₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
3'C-substituted isoflavan
1 reference
inferred from
3'C-substituted isoflavan
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
408.19367399600003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₈O₅
0 references
canonical SMILES
O=C1C=2C(O)=CC(O)=CC2OCC1C3=CC=C(O)C(=C3)CC=C(C)CCC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/Cc1cc(C2COc3cc(O)cc(O)c3C2=O)ccc1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-18-11-17(9-10-21(18)27)20-14-30-23-13-19(26)12-22(28)24(23)25(20)29/h5,7,9-13,20,26-28H,4,6,8,14H2,1-3H3/b16-7+
0 references
InChIKey
YFTKBDQVWMZIOT-FRKPEAEDSA-N
0 references
PubChem CID
15227647
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YFTKBDQVWMZIOT-FRKPEAEDSA-N
UniChem compound ID
96799647
1 reference
stated in
UniChem
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