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(Q110193872)
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English
[(3aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
inuchinenolide B
1 reference
based on heuristic
inferred from InChI
[(3aS,6S,8R,8aR,9aS)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC(=C3C(OC(=O)C)CC(O)(C)C3CC2C1=C)C
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isomeric SMILES
C=C1C(=O)O[C@H]2CC(C)=C3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3C[C@H]12
0 references
found in taxon
Inula hupehensis
1 reference
stated in
Pseudoguaianolides and guaianolides from Inula hupehensis as potential anti-inflammatory agents
Identifiers
InChI
InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h11-14,20H,2,5-7H2,1,3-4H3/t11-,12-,13+,14+,17-/m1/s1
0 references
InChIKey
PHMCCYUSORUPSX-NLIDSEJHSA-N
0 references
PubChem CID
162967978
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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