ASTRINGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22O9
Molecular Weight	406.3833
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC(O)=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=PERPNFLGJXUDDW-CUYWLFDKSA-N

InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H22O9
Molecular Weight	406.3833
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 19:00:22 GMT 2023` Edited by `admin` on `Sat Dec 16 19:00:22 GMT 2023`
Record UNII	4ER6YKM4YL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ASTRINGIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, 3-((1E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-5-HYDROXYPHENYL

Systematic Name

English

(E)-ASTRINGIN

Common Name

English

TRANS-ASTRINGIN

Common Name

English

3-((1E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-5-HYDROXYPHENYL .BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

(2S,3R,4S,5S,6R)-2-(3-((E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-5-HYDROXYPHENOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID401029689