DIETHYLSTILBESTROL MONOGLUCURONIDE

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

Structure Search

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

Molecular Formula	C24H28O8
Molecular Weight	444.4743
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:56:59 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:59 GMT 2025`
Record UNII	HCS07E193J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIETHYLSTILBESTROL MONOGLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(1-ETHYL-2-(4-HYDROXYPHENYL)-1-BUTENYL)PHENYL, (E)-

Preferred 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

STILBESTROL MONOGLUCURONIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID901297869