U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32Cl2O4
Molecular Weight 467.425
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-METHYL DICHLORISONE-17,21-ACETONIDE

SMILES

[H][C@@]12C[C@@H](C)[C@@]3(OC(C)(C)OCC3=O)[C@@]1(C)C[C@H](Cl)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=ZQTYPIRKACXRKR-OCUNRLNVSA-N
InChI=1S/C25H32Cl2O4/c1-14-10-18-17-7-6-15-11-16(28)8-9-22(15,4)24(17,27)19(26)12-23(18,5)25(14)20(29)13-30-21(2,3)31-25/h8-9,11,14,17-19H,6-7,10,12-13H2,1-5H3/t14-,17+,18+,19+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.ALPHA.-METHYL DICHLORISONE-17,21-ACETONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, CYCLIC ACETAL WITH ACETONE
Systematic Name English
Code System Code Type Description
PUBCHEM
133082925
Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023
PRIMARY
CAS
4735-67-5
Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023
PRIMARY
FDA UNII
WQA3UI3DWN
Created by admin on Fri Dec 15 15:34:55 GMT 2023 , Edited by admin on Fri Dec 15 15:34:55 GMT 2023
PRIMARY