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4-Desoxypicropodophyllotoxin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
arylnaphthalene-type lignan
1 reference
based on heuristic
inferred from SMILES
mass
398.13655304399987
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₂₂O₇
0 references
canonical SMILES
COc1cc(OC)c(C2c3cc4c(cc3CC3COC(=O)C32)OCO4)cc1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC(=C(C=C1[C@H]2[C@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O)OC)OC
0 references
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C22H22O7/c1-24-15-8-17(26-3)16(25-2)7-14(15)21-13-6-19-18(28-10-29-19)5-11(13)4-12-9-27-22(23)20(12)21/h5-8,12,20-21H,4,9-10H2,1-3H3/t12-,20+,21-/m0/s1
0 references
InChIKey
TUGXVGMIXLPLHW-QDEDPJFRSA-N
0 references
CAS Registry Number
24150-39-8
0 references
PubChem CID
56841131
1 reference
matched by identifier from
InChIKey
InChIKey
TUGXVGMIXLPLHW-QDEDPJFRSA-N
UniChem compound ID
64884772
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80178852
0 references
DSSTOX compound identifier
DTXCID40101343
0 references
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