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Substance Name: Alloin
RN: 8015-61-0
UNII: W41H6S09F4
InChIKey: AFHJQYHRLPMKHU-CGISPIQUSA-N

Note

  • Isolated from various species of aloe.

Classification Codes

  • Cathartics
  • Gastrointestinal Agents

Molecular Formulas

  • C21-H22-O9
  • Unspecified

Molecular Weight

  • 418.3958
 
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Names and Synonyms

Name of Substance

  • Alloin

Synonyms

  • AI3-19097
  • Aloin, Cape
  • Aloin, curaco
  • UNII-W41H6S09F4

Systematic Names

  • 10-(1,5'-Anhydroglucosyl)aloe-emodin-9-anthrone
  • 9(10H)-Anthracenone, 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-
  • Aloin

Registry Numbers

CAS Registry Number

  • 8015-61-0

FDA UNII

  • W41H6S09F4

System Generated Number

  • 0008015610

Structure Descriptors

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

InChIKey

AFHJQYHRLPMKHU-CGISPIQUSA-N

Smiles

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24