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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32F2O2
Molecular Weight 366.4851
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.ALPHA.,3.ALPHA.-(DIFLUOROMETHYLENE)-5.ALPHA.-ANDROSTAN-17.BETA.-OL, ACETATE

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H]5[C@@H](C[C@]34C)C5(F)F

InChI

InChIKey=BRZLCOPFROJRBE-WMFBMNODSA-N
InChI=1S/C22H32F2O2/c1-12(25)26-19-7-6-15-14-5-4-13-10-17-18(22(17,23)24)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32F2O2
Molecular Weight 366.4851
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:59 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:59 GMT 2023
Record UNII
6988Y7S596
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2.ALPHA.,3.ALPHA.-(DIFLUOROMETHYLENE)-5.ALPHA.-ANDROSTAN-17.BETA.-OL, ACETATE
Common Name English
3'H-CYCLOPROP(2,3)-5.ALPHA.-ANDROST-2-EN-17.BETA.-OL, 3',3'-DIFLUORO-2.BETA.,3.BETA.-DIHYDRO-, ACETATE
Systematic Name English
NSC-72257
Code English
3'H-CYCLOPROP(2,3)ANDROST-2-EN-17-OL, 3',3'-DIFLUORO-2,3-DIHYDRO-, 17-ACETATE, (2.BETA.,3.BETA.,5.ALPHA.,17.BETA.)-
Systematic Name English
5.ALPHA.-ANDROSTAN-17.BETA.-OL, 2.ALPHA.,3.ALPHA.-(DIFLUOROMETHYLENE)-, ACETATE
Systematic Name English
5.ALPHA.-ANDROSTAN-17.BETA.-OL,2.ALPHA.,3.ALPHA.-(DIFLUOROMETHYLENE)-,ACETATE
Common Name English
Code System Code Type Description
NSC
72257
Created by admin on Sat Dec 16 08:13:59 GMT 2023 , Edited by admin on Sat Dec 16 08:13:59 GMT 2023
PRIMARY
FDA UNII
6988Y7S596
Created by admin on Sat Dec 16 08:13:59 GMT 2023 , Edited by admin on Sat Dec 16 08:13:59 GMT 2023
PRIMARY
PUBCHEM
251633
Created by admin on Sat Dec 16 08:13:59 GMT 2023 , Edited by admin on Sat Dec 16 08:13:59 GMT 2023
PRIMARY
CAS
3935-75-9
Created by admin on Sat Dec 16 08:13:59 GMT 2023 , Edited by admin on Sat Dec 16 08:13:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID30960047
Created by admin on Sat Dec 16 08:13:59 GMT 2023 , Edited by admin on Sat Dec 16 08:13:59 GMT 2023
PRIMARY