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(Q82977449)
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English
1,2-Didehydro-3,11-epoxycrinan
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
269.10519334
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₅NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1=CC23c4cc5c(cc4CN4CC2OC1CC43)OCO5
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC23c4cc5c(cc4CN4C[C@@H]2O[C@H]1C[C@H]43)OCO5
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H15NO3/c1-2-16-11-5-13-12(18-8-19-13)3-9(11)6-17-7-15(16)20-10(1)4-14(16)17/h1-3,5,10,14-15H,4,6-8H2/t10-,14+,15+,16?/m1/s1
0 references
InChIKey
QMGIUGSXVRJVRE-KFMVOITCSA-N
0 references
CAS Registry Number
6900-81-8
0 references
PubChem CID
189000
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61863288
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90988762
0 references
DSSTOX compound identifier
DTXCID801415896
0 references
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