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(Q82950063)
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English
6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8xi,9xi,10xi,13xi,14xi)-6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione
1 reference
based on heuristic
inferred from SMILES
mass
378.2042386799999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(=O)C=C1C(O)CC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3
0 references
InChIKey
GNFTWPCIRXSCQF-UHFFFAOYSA-N
0 references
CAS Registry Number
53-35-0
0 references
PubChem CID
253325
1 reference
matched by identifier from
InChIKey
InChIKey
GNFTWPCIRXSCQF-UHFFFAOYSA-N
DSSTox substance ID
DTXSID00967467
1 reference
matched by identifier from
InChIKey
InChIKey
GNFTWPCIRXSCQF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50834938
0 references
NSC number
76163
0 references
Human Metabolome Database ID
HMDB0247074
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GNFTWPCIRXSCQF-UHFFFAOYSA-N
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