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Substance Name: Cascaroside E
RN: 164178-32-9
UNII: 70L96GE97H
InChIKey: VICGNLNFFZAFLT-OPEXUXIQSA-N

Molecular Formula

  • C27-H32-O14

Molecular Weight

  • 580.5358
 
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Names and Synonyms

Name of Substance

  • Cascaroside E

Synonyms

  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1-(beta-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-, (9R)-
  • Cascaroside E
  • UNII-70L96GE97H

Registry Numbers

CAS Registry Number

  • 164178-32-9

FDA UNII

  • 70L96GE97H

System Generated Number

  • 0164178329

Structure Descriptors

InChI

1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

InChIKey

VICGNLNFFZAFLT-OPEXUXIQSA-N

Smiles

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O