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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28O8
Molecular Weight 444.4743
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLSTILBESTROL MONOGLUCURONIDE

SMILES

CC\C(=C(\CC)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3=CC=C(O)C=C3

InChI

InChIKey=LJMPVHCKUXKZAV-PDSLVOJVSA-N
InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIETHYLSTILBESTROL MONOGLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1E)-1-ETHYL-2-(4-HYDROXYPHENYL)-1-BUTENYL)PHENYL
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1E)-1-ETHYL-2-(4-HYDROXYPHENYL)-1-BUTEN-1-YL)PHENYL
Systematic Name English
GLUCOPYRANOSIDURONIC ACID, P-(.ALPHA.,.BETA.-DIETHYL-P-HYDROXYSTYRYL)PHENYL, (E)-, .BETA.-D-
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(1-ETHYL-2-(4-HYDROXYPHENYL)-1-BUTENYL)PHENYL, (E)-
Common Name English
STILBESTROL MONOGLUCURONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901297869
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
PRIMARY
FDA UNII
HCS07E193J
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
PRIMARY
CAS
2408-40-4
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
PRIMARY
CAS
95782-00-6
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
10411193
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-310-4
Created by admin on Sat Dec 16 08:13:57 GMT 2023 , Edited by admin on Sat Dec 16 08:13:57 GMT 2023
PRIMARY