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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32F2O
Molecular Weight 326.4643
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIFLUORO-17-METHYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL

SMILES

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

InChI

InChIKey=CFOLMZDQBCZMCT-PHFHYRSDSA-N
InChI=1S/C20H32F2O/c1-17-10-11-20(21,22)12-13(17)4-5-14-15(17)6-8-18(2)16(14)7-9-19(18,3)23/h13-16,23H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H32F2O
Molecular Weight 326.4643
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:51:48 GMT 2023
Edited
by admin
on Sat Dec 16 05:51:48 GMT 2023
Record UNII
IOE22L013D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIFLUORO-17-METHYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL
Common Name English
NSC-81402
Code English
5.ALPHA.-ANDROSTAN-17.BETA.-OL, 3,3-DIFLUORO-17-METHYL-
Common Name English
Code System Code Type Description
PUBCHEM
255699
Created by admin on Sat Dec 16 05:51:48 GMT 2023 , Edited by admin on Sat Dec 16 05:51:48 GMT 2023
PRIMARY
FDA UNII
IOE22L013D
Created by admin on Sat Dec 16 05:51:48 GMT 2023 , Edited by admin on Sat Dec 16 05:51:48 GMT 2023
PRIMARY
NSC
81402
Created by admin on Sat Dec 16 05:51:48 GMT 2023 , Edited by admin on Sat Dec 16 05:51:48 GMT 2023
PRIMARY
CAS
2023-72-5
Created by admin on Sat Dec 16 05:51:48 GMT 2023 , Edited by admin on Sat Dec 16 05:51:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID30174081
Created by admin on Sat Dec 16 05:51:48 GMT 2023 , Edited by admin on Sat Dec 16 05:51:48 GMT 2023
PRIMARY