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(Q105036312)
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English
(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4H,5H,6H,7H,8H,8aH-naphtho[2,3-b]furan-4-yl (2R)-2-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
(8-Hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] 2-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
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canonical SMILES
O=C(OC1C2=C(OC=C2C)C(=O)C3C(O)CCC(C)C13C)C(C)CC
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isomeric SMILES
CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C
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found in taxon
Senecio chionophilus
1 reference
stated in
Constituents of Senecio chionophilus with potential antitubercular activity
Identifiers
InChI
InChI=1S/C20H28O5/c1-6-10(2)19(23)25-18-14-11(3)9-24-17(14)16(22)15-13(21)8-7-12(4)20(15,18)5/h9-10,12-13,15,18,21H,6-8H2,1-5H3/t10-,12+,13+,15+,18-,20-/m1/s1
0 references
InChIKey
IAWIPMBPDIXBBM-MUYXBLMISA-N
0 references
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