ALOIN A

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

[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-OSYMLPPYSA-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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:29 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:29 UTC 2023`
Record UNII	648RW354S9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALOIN A

Common Name

English

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

Common Name

English

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

Systematic Name

English

ALOIN A [MI]

Common Name

English

NSC-407305

Code

English

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

Systematic Name

English

BARBALOIN A

Common Name

English

Code System Code Type Description

NSC

407305