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Substance Name: Cascaroside B
RN: 53861-34-0
UNII: 39GRF8ND7D
InChIKey: MNAYRSRTNMVAPR-OPEXUXIQSA-N

Molecular Formula

  • C27-H32-O14

Molecular Weight

  • 580.5358
 
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Names and Synonyms

Name of Substance

  • Cascaroside B

Synonyms

  • (-)-Cascaroside B
  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-, (10R)-
  • Cascaroside B
  • UNII-39GRF8ND7D

Registry Numbers

CAS Registry Number

  • 53861-34-0

FDA UNII

  • 39GRF8ND7D

System Generated Number

  • 0053861340

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-OPEXUXIQSA-N

Smiles

c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4c(cc(cc4O)CO)[C@@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O