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(Q105382388)
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English
(3aS,6aR,7R,8S,10aR)-7-[2-(furan-3-yl)ethyl]-3a-hydroxy-7,8-dimethyl-6,6a,8,10-tetrahydro-1H-benzo[d][2]benzofuran-3,9-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-[2-(furan-3-yl)ethyl]-3a-hydroxy-7,8-dimethyl-6,6a,8,10-tetrahydro-1H-benzo[d][2]benzofuran-3,9-dione
1 reference
based on heuristic
inferred from SMILES
mass
344.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₅
0 references
canonical SMILES
O=C1OCC23CC(=O)C(C)C(C)(CCC4=COC=C4)C3CC=CC12O
0 references
isomeric SMILES
C[C@@H]1C(=O)C[C@@]23COC(=O)[C@]2(O)C=CC[C@@H]3[C@@]1(C)CCc1ccoc1
0 references
found in taxon
Baccharis macraei
1 reference
stated in
Neo-clerodane diterpenoids from Baccharis macraei
Identifiers
InChI
InChI=1S/C20H24O5/c1-13-15(21)10-19-12-25-17(22)20(19,23)7-3-4-16(19)18(13,2)8-5-14-6-9-24-11-14/h3,6-7,9,11,13,16,23H,4-5,8,10,12H2,1-2H3/t13-,16-,18+,19+,20-/m1/s1
0 references
InChIKey
ZSAXQVPCWVATOG-PPOOEBMNSA-N
0 references
PubChem CID
162955576
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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