Registration Dossier

Reference substances

Reference substances

Currently viewing:
IUPAC name:
Reaction mass of (6alpha,11beta)-11,17-dihydroxy-21-iodo-6-methylpregna-1,4-diene-3,20-dione and (6alpha,11beta)-11,17-dihydroxy-21,21-diiodo-6-methylpregna-1,4-diene-3,20-dione

Inventory

Synonyms
Names:
Identifier:
CAS number
85847-53-6
Identifier:
CAS number
94134-96-0
Identifier:
IUPAC name
(6α,11β)-11,17-dihydroxy-21,21-diiodo-6-methylpregna-1,4-diene-3,20-dione
Identifier:
IUPAC name
(6α,11β)-11,17-dihydroxy-21-iodo-6-methylpregna-1,4-diene-3,20-dione

Molecular and structural information

Molecular formula:
not identified
Structural formula:
Chemical structure

Related substances

open allclose all
Identifier:
IUPAC name
Identity:
(6α,11β)-11,17-dihydroxy-21,21-diiodo-6-methylpregna-1,4-diene-3,20-dione
Identifier:
CAS number
Identity:
94134-96-0
Identifier:
EC number
Identity:
302-866-8
Identifier:
other: molecular formula
Identity:
C22H28I2O4
Identifier:
other: molecular weight
Identity:
610.26
Identifier:
other: Smile notation:
Identity:
IC(I)C(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C
Identifier:
other: InChI Code
Identity:
InChI=1S/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/t11-,13-,14-,16-,17+,20-,21-,22-/m0/s1
Identifier:
IUPAC name
Identity:
(6α,11β)-11,17-dihydroxy-21-iodo-6-methylpregna-1,4-diene-3,20-dione
Identifier:
other: molecular weight
Identity:
484.37
Identifier:
other: molecular formula
Identity:
C22H29IO4
Identifier:
other: SMILES notation
Identity:
ICC(=O)[C@@]4(O)CC[C@@H]3[C@]4©C[C@H](O)[C@H]2[C@H]3C[C@H]©C1=CC(=O)C=C[C@@]12C
Identifier:
other: InChI code
Identity:
InChI=1S/C22H29IO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1