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Reference substances

Reference substances

IUPAC name:
(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-(2,2-diiodoacetyl)-1,10-dihydroxy-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Inventory

EC number:
302-866-8
EC name:
11β,17-dihydroxy-21,21-diiodo-6α-methylpregna-1,4-diene-3,20-dione
CAS number:
94134-96-0
CAS number:
94134-96-0
Synonyms
Names:
11,17-dihydroxy-21,21-diiodo-6-methylpregna-1,4-diene-3,20-dione

Molecular and structural information

Molecular formula:
C22H28I2O4
Molecular weight:
610.264
SMILES notation:
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14
InChl:
InChI=1/C22H28I2O4/c1-11-8-13-14-5-7-22(28,18(27)19(23)24)21(14,3)10-16(26)17(13)20(2)6-4-12(25)9-15(11)20/h4,6,9,11,13-14,16-17,19,26,28H,5,7-8,10H2,1-3H3
Structural formula:
Chemical structure

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