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(Q104969735)
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English
4-[(2R,3S,3aR,5R,6aR)-5-(furan-3-yl)-2,3-dimethyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-3H-2-benzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[5-(furan-3-yl)-2,3-dimethyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-3H-2-benzofuran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
340.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₀O₅
0 references
canonical SMILES
O=C1OCC=2C1=CC=CC2C34CC(OC4OC(C)C3C)C5=COC=C5
0 references
isomeric SMILES
C[C@@H]1[C@@H](C)O[C@@H]2O[C@@H](c3ccoc3)C[C@]12c1cccc2c1COC2=O
0 references
found in taxon
Salvia rhyacophila
2 references
stated in
Clerodane and aromatic seco-clerodane diterpenoids from salvia rhyacophua.
stated in
7-epi-rhyacophiline, a 5,6-secoclerodane diterpene from Salvia rhyacophila
Identifiers
InChI
InChI=1S/C20H20O5/c1-11-12(2)24-19-20(11,8-17(25-19)13-6-7-22-9-13)16-5-3-4-14-15(16)10-23-18(14)21/h3-7,9,11-12,17,19H,8,10H2,1-2H3/t11-,12-,17-,19-,20-/m1/s1
0 references
InChIKey
CTDRGEIVHYZZCA-IKICYEBISA-N
0 references
PubChem CID
137659006
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CTDRGEIVHYZZCA-IKICYEBISA-N
UniChem compound ID
154068347
1 reference
stated in
UniChem
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