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(Q105142812)
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English
5,6,8a-Trimethyl-5-[2-(2-oxooxolan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₀H₃₀O₄
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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
334.4506
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
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canonical SMILES
O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3C(=O)OCC3
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Identifiers
InChI
InChI=1S/C20H30O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)
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InChIKey
KLTOIXCFCZRIFD-UHFFFAOYSA-N
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PubChem CID
85087293
1 reference
based on heuristic
inferred from InChIKey
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