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(Q82940066)
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English
6-Methyl-2-(3-methyl-1-oxobutyl)-1-oxa-5-azaspiro(2.5)oct-6-ene-4,8-dione
group of stereoisomers with the chemical formula C₁₂H₁₅NO₄
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Statements
instance of
group of stereoisomers
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subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
237.10010796
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₅NO₄
0 references
canonical SMILES
CC1=CC(=O)C2(OC2C(=O)CC(C)C)C(=O)N1
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isomeric SMILES
CC1=CC(=O)C2(O[C@H]2C(=O)CC(C)C)C(=O)N1
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Identifiers
InChI
InChI=1S/C12H15NO4/c1-6(2)4-8(14)10-12(17-10)9(15)5-7(3)13-11(12)16/h5-6,10H,4H2,1-3H3,(H,13,16)/t10-,12?/m0/s1
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InChIKey
DWCXXICTUDDKTB-NUHJPDEHSA-N
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CAS Registry Number
38473-18-6
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PubChem CID
161964
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54366479
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90959351
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DSSTOX compound identifier
DTXCID401387231
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