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(Q105213924)
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English
5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-17-one
group of stereoisomers with the chemical formula C₂₀H₂₈O₄
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Statements
instance of
group of stereoisomers
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subclass of
cembrane
1 reference
inferred from
cembrane
mass
332.19875937599994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
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canonical SMILES
O=C1OC2CC(=CCCC(=CCCC3(OC3CC2C1=C)CO)C)C
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Identifiers
InChI
InChI=1S/C20H28O4/c1-13-6-4-7-14(2)10-17-16(15(3)19(22)23-17)11-18-20(12-21,24-18)9-5-8-13/h7-8,16-18,21H,3-6,9-12H2,1-2H3
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InChIKey
PRUIDJLINDRLON-UHFFFAOYSA-N
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PubChem CID
73080973
1 reference
matched by identifier from
InChIKey
InChIKey
PRUIDJLINDRLON-UHFFFAOYSA-N
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