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(Q82923220)
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English
(1-Hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
group of stereoisomers with the chemical formula C₁₆H₂₅NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
311.17327290000003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₅NO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(C)C(O)(C(=O)OCc1ccn2c1C(O)CC2)C(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(C)C(O)(C(=O)OCc1ccn2c1[C@@H](O)CC2)C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1
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InChIKey
KYSOVPPHGLNVRV-ULKWEWGCSA-N
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CAS Registry Number
23107-11-1
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PubChem CID
31646
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56458732
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20945782
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DSSTOX compound identifier
DTXCID401374086
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