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(Q105236805)
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English
(3aR)-3-Methylene-4alpha-(isobutyryloxy)-5beta-[(S)-1-methyl-4-hydroxybutyl]-6-methyl-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-Isobutylbritannilactone
1 reference
based on heuristic
inferred from SMILES
mass
336.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₈O₅
0 references
canonical SMILES
O=C1OC2CC(=C(C(OC(=O)C(C)C)C2C1=C)C(C)CCCO)C
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isomeric SMILES
C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)C(C)C)[C@H]12
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found in taxon
Inula britannica
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Inula japonica
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Pentanema britannicum
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Identifiers
InChI
InChI=1S/C19H28O5/c1-10(2)18(21)24-17-15(11(3)7-6-8-20)12(4)9-14-16(17)13(5)19(22)23-14/h10-11,14,16-17,20H,5-9H2,1-4H3/t11-,14+,16+,17+/m0/s1
0 references
InChIKey
RIFCMNAQMNUNKD-ASTDHERZSA-N
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PubChem CID
50917934
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34483355
1 reference
stated in
UniChem
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