Mrv0541 05221411292D          

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  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
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 28 29  1  1  0  0  0
M  END
> <ID>
CHEBI:78600

> <NAME>
11-dehydrocorticosterone

> <DEFINITION>
An 11-oxo steroid that is corticosterone in which the hydroxy substituent at the 11β position has been oxidised to give the corresponding ketone.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:711

> <SYNONYM>
Kendall's compound A; Delta(4)-pregnen-21-ol-3,11,20-trione; dehydrocorticosterone; 4-pregnen-21-ol- 3,11,20-trione; 17-deoxycortisone; 17-(1-keto-2-hydroxyethyl)-Delta(4)androsten-3,11-dione; 11-oxo-11-deoxycorticosterone; 11-DHC; 11-dehydrocorticosterone

> <FORMULA>
C21H28O4

> <MASS>
344.44460

> <MONOISOTOPIC_MASS>
344.19876

> <CHARGE>
0

> <SMILES>
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO

> <INCHI>
InChI=1S/C21H28O4/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/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1

> <INCHIKEY>
FUFLCEKSBBHCMO-KJQYFISQSA-N

> <CAS_REGISTRY_NUMBER>
72-23-1

> <REAXYS_REGISTRY_NUMBER>
3108660

> <CHEMIDPLUS>
72-23-1

> <KEGG_COMPOUND_ACCESSION>
C05490

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02030192

> <PUBMED_CITATION>
11751610; 17329828; 17389675; 1951719; 23832962; 4295227; 8430442; 8498539; 8613810

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