AWOBANIN CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H37O19.Cl
Molecular Weight	809.121
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C(=[O+]C3=CC(O)=C2)C6=CC(O)=C(O)C(O)=C6)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=CPIZSIUIRRFHON-AUXWZBNRSA-N

InChI=1S/C36H36O19.ClH/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14;/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43);1H/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

AWOBANIN CHLORIDE

Common Name

English

1-BENZOPYRYLIUM, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

8N4C47103Q

Created by admin on Sat Dec 16 05:40:53 UTC 2023 , Edited by admin on Sat Dec 16 05:40:53 UTC 2023

PRIMARY

CAS

64615-55-0

Created by admin on Sat Dec 16 05:40:53 UTC 2023 , Edited by admin on Sat Dec 16 05:40:53 UTC 2023

PRIMARY

PUBCHEM

90478742

Created by admin on Sat Dec 16 05:40:53 UTC 2023 , Edited by admin on Sat Dec 16 05:40:53 UTC 2023

PRIMARY

SUBSTANCE RECORD


					8N4C47103Q

AWOBANIN CHLORIDE