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English
PUBCHEM_71750559
group of stereoisomers with the chemical formula C₂₀H₂₇NO₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
473.1533253039999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₇NO₁₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1=CC(N=C(C)O)C(OC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1=C[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H](C(OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H27NO12/c1-9(22)21-14-7-15(20(27)28-6)33-19(17(14)31-12(4)25)18(32-13(5)26)16(30-11(3)24)8-29-10(2)23/h7,14,16-19H,8H2,1-6H3,(H,21,22)/t14-,16-,17+,18?,19+/m0/s1
0 references
InChIKey
ARNMGCUXSSBBFL-KEVQOFRZSA-N
0 references
CAS Registry Number
173467-18-0
0 references
PubChem CID
71750559
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
69954254
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20858085
0 references
DSSTOX compound identifier
DTXCID00808826
0 references
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