DIETHYLSTILBESTROL MONOGLUCURONIDE, (Z)-

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, (Z)-

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-ZCRZICNWSA-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 `Sat Dec 16 09:36:10 GMT 2023` Edited by `admin` on `Sat Dec 16 09:36:10 GMT 2023`
Record UNII	9H5TJP794G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIETHYLSTILBESTROL MONOGLUCURONIDE, (Z)-

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

9H5TJP794G

Created by admin on Sat Dec 16 09:36:10 GMT 2023 , Edited by admin on Sat Dec 16 09:36:10 GMT 2023

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CAS

69684-32-8

Created by admin on Sat Dec 16 09:36:10 GMT 2023 , Edited by admin on Sat Dec 16 09:36:10 GMT 2023

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PUBCHEM

91864455

Created by admin on Sat Dec 16 09:36:10 GMT 2023 , Edited by admin on Sat Dec 16 09:36:10 GMT 2023

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