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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 of ALOIN B

SMILES

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

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

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:08 GMT 2023
Record UNII
69VIB0J2WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALOIN B
MI  
Common Name English
ALOIN B [MI]
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
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY
MERCK INDEX
m1573
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY Merck Index
CHEBI
74131
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID70904581
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY
FDA UNII
69VIB0J2WK
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY
CAS
28371-16-6
Created by admin on Sat Dec 16 08:05:08 GMT 2023 , Edited by admin on Sat Dec 16 08:05:08 GMT 2023
PRIMARY
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