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(Q81983500)
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English
(5s,8s)-3-(2,5-Dimethylphenyl)-3,4-dihydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
group of stereoisomers with the chemical formula C₁₈H₂₅NO₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
319.17835828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1CCC2(CC1)N=C(O)C(O)(c1cc(C)ccc1C)C2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@H]1CC[C@]2(CC1)NC(=O)C(O)(c1cc(C)ccc1C)C2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H25NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,15,20,22H,6-9H2,1-3H3,(H,19,21)/t13-,15?,17+,18?
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InChIKey
UQUUEPYRZJQJNA-PSFWNZCWSA-N
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CAS Registry Number
1311507-40-0
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DSSTox substance ID
DTXSID701009381
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DSSTOX compound identifier
DTXCID201436212
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