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Reference substances

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IUPAC name:
11a,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione

Inventory

EC number:
278-982-7
EC name:
11α,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
CAS number:
78761-59-8
CAS number:
78761-59-8
Synonyms
Names:
DOB-AA
Mometazone intermediate

Molecular and structural information

Molecular formula:
C22 H30 O5
Molecular weight:
ca. 374.5
SMILES notation:
OCC(=O)[C@@4](O)[C@H](C)C[C@@H]3[C@]4(C)C[C@@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C
InChl:
InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1
Structural formula:
Chemical structure

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