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(Q113583262)
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English
3α,21-dihydroxy-5β-pregnane-11,20-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3a,21-Dihydroxy-5b-pregnane-11,20-dione
1 reference
based on heuristic
inferred from SMILES
mass
348.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
allopregnane-3β,21-diol-11,20-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alfadolone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₄
0 references
canonical SMILES
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[C@@]12([H])CC[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H]
0 references
Identifiers
InChI
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,19-,20+,21+/m1/s1
0 references
InChIKey
XWYBFXIUISNTQG-RHBMFIQRSA-N
0 references
PubChem CID
223684
1 reference
matched by identifier from
InChIKey
InChIKey
XWYBFXIUISNTQG-RHBMFIQRSA-N
UniChem compound ID
9169189
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501293596
1 reference
matched by identifier from
InChIKey
InChIKey
XWYBFXIUISNTQG-RHBMFIQRSA-N
LIPID MAPS ID
LMST02030288
0 references
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