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(Q82091983)
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English
AC1L9BSJ
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
328.20384475599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1CCC2C3CC4OCC5(CCC(=O)C=C45)C3CCC12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H28O3/c1-12(22)15-3-4-16-14-10-19-18-9-13(23)5-8-21(18,11-24-19)17(14)6-7-20(15,16)2/h9,14-17,19H,3-8,10-11H2,1-2H3
0 references
InChIKey
OPWRVUYZIIWQJW-UHFFFAOYSA-N
0 references
CAS Registry Number
2205-86-9
0 references
PubChem CID
416531
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OPWRVUYZIIWQJW-UHFFFAOYSA-N
UniChem compound ID
54286531
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50329011
1 reference
matched by identifier from
InChIKey
InChIKey
OPWRVUYZIIWQJW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70280115
0 references
NSC number
79609
0 references
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