ALOIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O9
Molecular Weight	418.394
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]2C3=CC(CO)=CC(O)=C3C(=O)C4=C2C=CC=C4O

InChI

InChIKey=AFHJQYHRLPMKHU-WEZNYRQKSA-N

InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O9
Molecular Weight	418.394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.qualityphytochemicals.com/web/view.php?id=6179&sort=103

Aloin is a physiologically active anthraquinone present in aloe. It is a mixture of two diastereomers, termed aloin A (also called barbaloin) and aloin B (or isobarbaloin) which have similar chemical properties. Aloin B is used for research purposes and is not intended for diagnostic or therapeutic use.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:52:14 GMT 2025` Edited by `admin` on `Mon Mar 31 21:52:14 GMT 2025`
Record UNII	69VIB0J2WK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALOIN B [MI]

Preferred Name

English

ALOIN B

Common Name

English

ISOBARBALOIN

Common Name

English

9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-

Systematic Name

English

BARBALOIN B

Common Name

English

(10R)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

14989