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[1. Abbreviation for deoxycorticosterone; deoxycholate.
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pre_formula( "InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1", "jqp005/6166.html" ); ?>
Molecular Formula:
C21H30O3
InChI: InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=ZESRJSPZRDMNHY-YFWFAHHUBD
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@]([H])(CC[C@@]24[H])C(=O)CO
CAS number 64-85-7
Names:
Cortexone
Deoxycorticosterone
DESOXYCORTICOSTERONE
desoxycortone
DOC
Kendall's desoxy compound B
Prestwick0_000957
Reichstein's substance Q
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
11-Deoxycorticosterone
11-deoxycorticosterone
11-Deoxycorticosterone
11-deoxycorticosterone
21-hydroxyprogesterone
21-Hydroxy-4-pregnene-3,20-dione
4-pregnen-21-ol-3,20-dione
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Registries:
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PubChem CID 6166
Beilstein =2062123
CAS 64-85-7 (from NIST)
ChEBI 16973
chemPDB 1CA
Kegg C03205
PubChem ID 11466985
PubChem ID 6081
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