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(Q104920807)
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English
[(1S,3E,5E,7S)-1-[(2R)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[1-(3,3-Dimethyloxiran-2-yl)-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,3Z,5E,7R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (E)-2-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,3E,5E,7S)-1-[(2R)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,3E,5E,7S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C(OC(CC(=CC=CC(O)(C=C)C)C)C1OC1(C)C)C(=CC)C
0 references
isomeric SMILES
C=C[C@](C)(O)/C=C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C
0 references
found in taxon
Ageratum fastigiatum
1 reference
stated in
A daucanolide further farnesene derivatives from Ageratum fastigiatum☆
Moquiniastrum paniculatum
1 reference
stated in
Dimeric sesquiterpene lactones and kolavane derivatives from Gochnatia paniculata
Identifiers
InChI
InChI=1S/C20H30O4/c1-8-15(4)18(21)23-16(17-19(5,6)24-17)13-14(3)11-10-12-20(7,22)9-2/h8-12,16-17,22H,2,13H2,1,3-7H3/b12-10+,14-11+,15-8-/t16-,17+,20-/m0/s1
0 references
InChIKey
AXUAMOWYJIVLCI-MXWOMOTOSA-N
0 references
PubChem CID
162970072
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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