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(Q115949857)
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English
[(3aR,4S,6aR,8S,9S,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-methylprop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Epoxyrepidiolide
1 reference
based on heuristic
inferred from SMILES
mass
346.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,3abeta,6abeta,9R,9abeta,9bbeta)-3a,4,5,6,6a,7,9a,9b-Octahydro-4beta-(methacryloyloxy)-8alpha-hydroxy-3,6-dimethylenespiro[azuleno[4,5-b]furan-9(8H),2'-oxiran]-2(3H)-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₂O₆
0 references
canonical SMILES
O=C(OC1CC(=C)C2CC(O)C3(OC3)C2C4OC(=O)C(=C)C14)C(=C)C
0 references
isomeric SMILES
C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21
0 references
found in taxon
Centaurea musimomum
1 reference
stated in
Sesquiterpene lactones from Centaurea musimomum. Antiplasmodial and cytotoxic activities
Identifiers
InChI
InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1
0 references
InChIKey
OXOPCSJXUOZWDB-WDUCEZRYSA-N
0 references
PubChem CID
162895712
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OXOPCSJXUOZWDB-WDUCEZRYSA-N
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