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Reference substances

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IUPAC name:
11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

Inventory

EC number:
237-731-1
EC name:
11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
CAS number:
13951-70-7
CAS number:
13951-70-7
Synonyms
Names:
11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

Molecular and structural information

Molecular formula:
C21H28O6
Molecular weight:
376.443
SMILES notation:
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
InChl:
InChI=1/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3
Structural formula:
Chemical structure

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