Cassiaphenone B 2-glucoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O13
Molecular Weight	480.3757
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cassiaphenone B 2-glucoside

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC=CC(O)=C2C(=O)C3=C(O)C=C(C=C3C(O)=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=WGJHPDSSDQSAFA-QUCXHVEGSA-N

InChI=1S/C21H20O13/c22-6-12-15(25)17(27)18(28)21(34-12)33-11-3-1-2-9(23)14(11)16(26)13-8(20(31)32)4-7(19(29)30)5-10(13)24/h1-5,12,15,17-18,21-25,27-28H,6H2,(H,29,30)(H,31,32)/t12-,15-,17+,18-,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Cassiaphenone B 2-glucoside

Common Name

English

1,3-Benzenedicarboxylic acid, 4-[2-(?-D-glucopyranosyloxy)-6-hydroxybenzoyl]-5-hydroxy-

Preferred Name

English

4-[2-(?-D-Glucopyranosyloxy)-6-hydroxybenzoyl]-5-hydroxy-1,3-benzenedicarboxylic acid

Systematic Name

English

5-Hydroxy-4-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]benzene-1,3-dicarboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

452306-60-4

Created by admin on Mon Mar 31 20:46:26 GMT 2025 , Edited by admin on Mon Mar 31 20:46:26 GMT 2025

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PUBCHEM

162890386

Created by admin on Mon Mar 31 20:46:26 GMT 2025 , Edited by admin on Mon Mar 31 20:46:26 GMT 2025

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FDA UNII

47Q55TJA52

Created by admin on Mon Mar 31 20:46:26 GMT 2025 , Edited by admin on Mon Mar 31 20:46:26 GMT 2025

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SUBSTANCE RECORD


					47Q55TJA52

Cassiaphenone B 2-glucoside