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Substance Name: Cascaroside D
RN: 53861-35-1
UNII: H1745HQ16C
InChIKey: GQPFUOPPYJYZHE-OPEXUXIQSA-N

Molecular Formula

  • C27-H32-O13

Molecular Weight

  • 564.5368
 
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Names and Synonyms

Name of Substance

  • Cascaroside D

Synonyms

  • (1S)-1,5-Anhydro-1-((9S)-5-(beta-D-glucopyranosyloxy)-4-hydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl)-D-glucitol
  • Cascaroside D
  • UNII-H1745HQ16C

Registry Numbers

CAS Registry Number

  • 53861-35-1

FDA UNII

  • H1745HQ16C

System Generated Number

  • 0053861351

Structure Descriptors

InChI

1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

InChIKey

GQPFUOPPYJYZHE-OPEXUXIQSA-N

Smiles

Cc1cc2c(c(c1)O)C(=O)c3c(cccc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O