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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O
Molecular Weight 256.3826
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-DEOXYESTRADIOL

SMILES

C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC2

InChI

InChIKey=HJKVPZJVBHWFCQ-BDXSIMOUSA-N
InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O
Molecular Weight 256.3826
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:20:47 GMT 2025
Edited
by admin
on Mon Mar 31 22:20:47 GMT 2025
Record UNII
73A01W88SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEOXYESTRADIOL
Common Name English
NSC-57428
Preferred Name English
17-DEOXOESTRONE
Common Name English
3-HYDROXYESTRA-1,3,5(10)-TRIENE
Systematic Name English
17-DESOXYESTRADIOL
Common Name English
ESTRA-1,3,5(10)-TRIEN-3-OL
Systematic Name English
Code System Code Type Description
PUBCHEM
5888
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY
FDA UNII
73A01W88SP
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY
CHEBI
62844
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY
CAS
53-63-4
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID1022471
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY
NSC
57428
Created by admin on Mon Mar 31 22:20:47 GMT 2025 , Edited by admin on Mon Mar 31 22:20:47 GMT 2025
PRIMARY