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(Q104953398)
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Chrysanin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8-Hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aR,4R,4aS,8R,8aR,9aS)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C(OC1C2C(=C)C(=O)OC2CC3(C)C(O)CCC(=C)C13)C(=CC)C
0 references
isomeric SMILES
C=C1CC[C@@H](O)[C@]2(C)C[C@@H]3OC(=O)C(=C)[C@H]3[C@H](OC(=O)/C(C)=C\C)[C@@H]12
0 references
found in taxon
Anthemis ruthenica
1 reference
stated in
Sesquiterpene lactones and flavonoids from Anthemis ruthenica growing wild in Serbia
Gonospermum gomerae
1 reference
stated in
Sesquiterpene lactones from Gonospermum gomerae and G. fruticosum and their cytotoxic activities
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Cota segetalis
1 reference
stated in
Bioactivity-guided isolation of cytotoxic sesquiterpenes and flavonoids from Anthemis ruthenica
Identifiers
InChI
InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-15-12(4)19(23)24-13(15)9-20(5)14(21)8-7-11(3)16(17)20/h6,13-17,21H,3-4,7-9H2,1-2,5H3/b10-6-/t13-,14+,15+,16+,17-,20-/m0/s1
0 references
InChIKey
CCJPWAPOFONQQT-KMJRVMNLSA-N
0 references
PubChem CID
101316713
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97444388
1 reference
stated in
UniChem
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