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Reference substances

Reference substances

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
Identifier:
IUPAC name
11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
Identifier:
other: SMILES notation
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
16alpha-Hydroxyprednisolone

Molecular and structural information

Molecular formula:
C21H28O6
Molecular weight:
ca. 376
SMILES notation:
CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O
InChl:
InChI=1S/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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