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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28I2O4
Molecular Weight 610.2643
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21,21-DIIODO-11.BETA.,17.ALPHA.-DIHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](O)(C(=O)C(I)I)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=HXECQENBKBNQCQ-XLECKLAMSA-N
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

HIDE SMILES / InChI

Molecular Formula C22H28I2O4
Molecular Weight 610.2643
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:24:53 GMT 2023
Edited
by admin
on Sat Dec 16 13:24:53 GMT 2023
Record UNII
FFI321BT3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21,21-DIIODO-11.BETA.,17.ALPHA.-DIHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
11BETA,17-DIHYDROXY-21,21-DIIODO-6ALPHA-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21,21-DIIODO-6-METHYL-, (6.ALPHA.,11.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50240737
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
PUBCHEM
10121665
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-866-8
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
FDA UNII
FFI321BT3P
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
CAS
94134-96-0
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY