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English
3,18-Dihydroxy-11,18-epoxypregnan-20-one
group of stereoisomers with the chemical formula C₂₁H₃₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
348.23005950399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C3CC12C(O)O3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H]3CC12C(O)O3
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H32O4/c1-11(22)15-5-6-16-14-4-3-12-9-13(23)7-8-20(12,2)18(14)17-10-21(15,16)19(24)25-17/h12-19,23-24H,3-10H2,1-2H3/t12-,13-,14+,15-,16+,17-,18-,19?,20+,21?/m1/s1
0 references
InChIKey
PLHRGCFLRHONCI-UELVEZJDSA-N
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CAS Registry Number
6251-70-3
0 references
PubChem CID
165438
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68499516
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30978107
0 references
DSSTOX compound identifier
DTXCID501405434
0 references
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