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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H37FO6
Molecular Weight 464.5668
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-ACETOXY-6.ALPHA.-FLUORO-11.BETA.-HYDROXY-16.ALPHA.,17-(ISOPROPYLIDENEDIOXY)PREGN-4-EN-20-ONE

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H](O)C[C@@]4(C)[C@@H](C[C@H]5OC(C)(C)O[C@@]45C(C)=O)[C@@H]3C[C@H](F)C2=C1

InChI

InChIKey=OLCXUVXEBNSPDD-OAGLKOBCSA-N
InChI=1S/C26H37FO6/c1-13(28)26-21(32-23(3,4)33-26)11-17-16-10-19(27)18-9-15(31-14(2)29)7-8-24(18,5)22(16)20(30)12-25(17,26)6/h9,15-17,19-22,30H,7-8,10-12H2,1-6H3/t15-,16-,17-,19-,20-,21+,22+,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.-ACETOXY-6.ALPHA.-FLUORO-11.BETA.-HYDROXY-16.ALPHA.,17-(ISOPROPYLIDENEDIOXY)PREGN-4-EN-20-ONE
Systematic Name English
PREGN-4-EN-20-ONE, 3-(ACETYLOXY)-6-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (3.BETA.,6.ALPHA.,11.BETA.,16.ALPHA.)-
Preferred Name English
AY-13643-5
Code English
PREGN-4-EN-20-ONE, 6.ALPHA.-FLUORO-3.BETA.,11.BETA.,16.ALPHA.,17-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 3-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
50B6K5MFU6
Created by admin on Mon Mar 31 17:53:03 GMT 2025 , Edited by admin on Mon Mar 31 17:53:03 GMT 2025
PRIMARY
CAS
3044-22-2
Created by admin on Mon Mar 31 17:53:03 GMT 2025 , Edited by admin on Mon Mar 31 17:53:03 GMT 2025
PRIMARY
PUBCHEM
133082650
Created by admin on Mon Mar 31 17:53:03 GMT 2025 , Edited by admin on Mon Mar 31 17:53:03 GMT 2025
PRIMARY