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(Q104950460)
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English
7,8-dimethyl-3-oxo-7-[2-(2-oxo-5H-furan-3-yl)ethyl]-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-9-yl acetate
group of stereoisomers with the chemical formula C₂₂H₂₈O₆
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Statements
instance of
group of stereoisomers
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subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
388.18858861599983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₆
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canonical SMILES
O=C1OCC=C1CCC2(C)C(C)C(OC(=O)C)CC34C(=CCCC32)C(=O)OC4
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Identifiers
InChI
InChI=1S/C22H28O6/c1-13-17(28-14(2)23)11-22-12-27-20(25)16(22)5-4-6-18(22)21(13,3)9-7-15-8-10-26-19(15)24/h5,8,13,17-18H,4,6-7,9-12H2,1-3H3
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InChIKey
BZHFASODQUVSNS-UHFFFAOYSA-N
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PubChem CID
14262813
1 reference
based on heuristic
inferred from InChIKey
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