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Reference substances

Reference substances

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General information

Inventory

EC number:
200-004-4
EC name:
Hydrocortisone 21-acetate
CAS number:
50-03-3

No inventory information available

Reference substance information

IUPAC name:
2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
Synonyms
Names:
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11ß)-
Identifier:
CAS number
50-03-3
11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate

CAS information

CAS number:
50-03-3

Molecular and structural information

Molecular formula:
C23H32O6
Molecular weight:
404.497
SMILES notation:
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
InChl:
InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3
Structural formula:
Chemical structure