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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H60O4
Molecular Weight 604.902
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL DIUNDECYLENATE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(OC(=O)CCCCCCCCC=C)=CC=C34)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C

InChI

InChIKey=LVJFPCSLAMHGAU-OBRFQGJBSA-N
InChI=1S/C40H60O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h4-5,23,25,30,34-37H,1-2,6-22,24,26-29H2,3H3/t34-,35-,36+,37+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H60O4
Molecular Weight 604.902
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:52:03 GMT 2025
Edited
by admin
on Wed Apr 02 12:52:03 GMT 2025
Record UNII
68XRU2GP58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETROSTERON
Preferred Name English
ESTRADIOL DIUNDECYLENATE
Common Name English
[(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol (17?)-, di-10-undecenoate
Common Name English
Code System Code Type Description
FDA UNII
68XRU2GP58
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
WIKIPEDIA
Estradiol diundecylenate
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID70996325
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
CAS
74798-17-7
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY
PUBCHEM
126479
Created by admin on Wed Apr 02 12:52:03 GMT 2025 , Edited by admin on Wed Apr 02 12:52:03 GMT 2025
PRIMARY