1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOS-1-YL)-BENZENE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H33NO9
Molecular Weight	563.595
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOS-1-YL)-BENZENE

Structure Search

SMILES

CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC=C(C#N)C(CC3=CC=C(C=C3)C4CC4)=C2

InChI

InChIKey=FLQAZUNRURFSDE-WUWJBHAQSA-N

InChI=1S/C31H33NO9/c1-17(33)37-16-27-29(38-18(2)34)31(40-20(4)36)30(39-19(3)35)28(41-27)24-11-12-25(15-32)26(14-24)13-21-5-7-22(8-6-21)23-9-10-23/h5-8,11-12,14,23,27-31H,9-10,13,16H2,1-4H3/t27-,28+,29-,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H33NO9
Molecular Weight	563.595
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 `Mon Mar 31 22:28:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:58 GMT 2025`
Record UNII	ABH6T17L60
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOS-1-YL)-BENZENE

Systematic Name

English

BENZONITRILE, 2-((4-CYCLOPROPYLPHENYL)METHYL)-4-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)-

Preferred Name

English

Code System Code Type Description

CAS

956006-92-1

Created by admin on Mon Mar 31 22:28:58 GMT 2025 , Edited by admin on Mon Mar 31 22:28:58 GMT 2025

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PUBCHEM

59427247

Created by admin on Mon Mar 31 22:28:58 GMT 2025 , Edited by admin on Mon Mar 31 22:28:58 GMT 2025

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FDA UNII

ABH6T17L60

Created by admin on Mon Mar 31 22:28:58 GMT 2025 , Edited by admin on Mon Mar 31 22:28:58 GMT 2025

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