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(Q104400103)
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English
Ineupatorolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(10-Hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl) 2-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
366.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aS,6R,10R,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl] (2R)-2-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3aR,6S,10R,11S,11aR)-10-hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl] (2R)-2-methylbutanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₆
0 references
canonical SMILES
O=C1OC2C(OC(=O)C(C)CC)C(O)(C)CCCC(C(=O)CC2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1CC(=O)[C@H](C)CCC[C@](C)(O)[C@@H]2OC(=O)[C@H](C)CC
0 references
found in taxon
Allagopappus viscosissimus
1 reference
stated in
Germacranolides fromAllagopappus viscosissimus
Allagopappus dichotomus
1 reference
stated in
Sesquiterpene Lactones and Other Constituents of Allagopappus Species
Carpesium glossophyllum
1 reference
stated in
Ineupatorolides from Carpesium glossophyllum
Carpesium nepalense
1 reference
stated in
Napalolides A−D, Four New Sesquiterpene Lactones fromCarpesium nepalense
Identifiers
InChI
InChI=1S/C20H30O6/c1-6-11(2)18(22)26-17-16-14(13(4)19(23)25-16)10-15(21)12(3)8-7-9-20(17,5)24/h11-12,14,16-17,24H,4,6-10H2,1-3,5H3/t11-,12-,14+,16+,17-,20+/m1/s1
0 references
InChIKey
OVXUCZUDXTYPCU-DUGSKPGWSA-N
0 references
PubChem CID
101688205
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OVXUCZUDXTYPCU-DUGSKPGWSA-N
UniChem compound ID
96986314
1 reference
stated in
UniChem
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