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Substance Name: Cascaroside
RN: 50814-04-5
InChIKey: MNAYRSRTNMVAPR-ZHVWOXMGSA-N

Note

  • Has been separated into 2 components, cascarosides A & B.

Molecular Formula

  • C27-H32-O14

Molecular Weight

  • 580.5358
 
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Names and Synonyms

Name of Substance

  • Cascaroside

Synonym

  • 8-O-(beta-D-Glucopyranosyl)barbaloins

Systematic Name

  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-

Registry Numbers

CAS Registry Number

  • 50814-04-5

System Generated Number

  • 0050814045

Structure Descriptors

InChI

1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

InChIKey

MNAYRSRTNMVAPR-ZHVWOXMGSA-N

Smiles

OC[C@H]1O[C@@H](Oc2cccc3[C@H]([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5cc(CO)cc(O)c5C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O