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(Q82901893)
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English
3,6,6-Trimethoxy-7,8-didehydro-4,5-epoxy-14,17-cyclomorphinan
group of stereoisomers with the chemical formula C₁₉H₂₁NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
327.14705815200006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₁NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc2c3c1OC1C(OC)(OC)C=CC45C(C2)N4CCC315
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1ccc2c3c1O[C@H]1C(OC)(OC)C=CC45C(C2)N4CCC315
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H21NO4/c1-21-12-5-4-11-10-13-18-6-7-19(22-2,23-3)16-17(18,8-9-20(13)18)14(11)15(12)24-16/h4-7,13,16H,8-10H2,1-3H3/t13?,16-,17?,18?,20?/m1/s1
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InChIKey
BUITWBDYVPKWCD-MLTZIZFVSA-N
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CAS Registry Number
131549-84-3
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PubChem CID
183068
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48719455
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80927261
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DSSTOX compound identifier
DTXCID501356057
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