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

Details

Stereochemistry ABSOLUTE
Molecular Formula C54H92O4
Molecular Weight 805.3059
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Estradiol distearate

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(OC(=O)CCCCCCCCCCCCCCCCC)=C4)[C@H]3CC[C@]12C

InChI

InChIKey=BBBPCTNBNYFUOV-NXCWIAOISA-N
InChI=1S/C54H92O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(55)57-46-37-39-47-45(44-46)36-38-49-48(47)42-43-54(3)50(49)40-41-51(54)58-53(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37,39,44,48-51H,4-36,38,40-43H2,1-3H3/t48-,49-,50+,51+,54+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Estradiol distearate
Common Name English
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dioctadecanoate
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol (17β)-, dioctadecanoate
Systematic Name English
Code System Code Type Description
CAS
126144-03-4
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
PUBCHEM
53672832
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
FDA UNII
B8HEM55UGK
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
WIKIPEDIA
Estradiol distearate
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID801183445
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY