21,21-DIIODO-11.BETA.,17.ALPHA.-DIHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

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

Structure Search

SMILES

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

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 `Tue Apr 01 20:37:30 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:30 GMT 2025`
Record UNII	FFI321BT3P
Record Status	`Validated (UNII)`
Record Version

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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

Preferred 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