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(Q105216588)
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English
Methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
group of stereoisomers with the chemical formula C₂₂H₃₆O₄
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Statements
instance of
group of stereoisomers
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subclass of
halimane diterpenoid
1 reference
inferred from
halimane diterpenoid
mass
364.2613596319999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₆O₄
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canonical SMILES
O=C(OC)CC(C)CCC1(C2=CCCC(C(=O)OC)(C)C2CCC1C)C
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Identifiers
InChI
InChI=1S/C22H36O4/c1-15(14-19(23)25-5)11-13-21(3)16(2)9-10-18-17(21)8-7-12-22(18,4)20(24)26-6/h8,15-16,18H,7,9-14H2,1-6H3
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InChIKey
PYHKARJNNRSAIE-UHFFFAOYSA-N
0 references
PubChem CID
163035313
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PYHKARJNNRSAIE-UHFFFAOYSA-N
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