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Substance Name: Withanoside VI
RN: 362472-82-0
UNII: 25Q6Y8Y108
InChIKey: MKCYAASFWFGIJK-BWBMWEGTSA-N

Molecular Formula

  • C40-H62-O15

Molecular Weight

  • 782.9148
 
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Names and Synonyms

Name of Substance

  • Withanoside VI

Synonyms

  • Ergosta-5,24-dien-26-oic acid, 3-((6-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-1,20,22-trihydroxy-, sigma-lactone, (1alpha,3beta,22R)-
  • UNII-25Q6Y8Y108
  • Withanoside VI
  • Withanoside VI (constituent of ashwagandha root) [DSC]
  • Withanoside vi, (-)-

Registry Numbers

CAS Registry Number

  • 362472-82-0

FDA UNII

  • 25Q6Y8Y108

System Generated Number

  • 0362472820

Structure Descriptors

InChI

1S/C40H62O15/c1-17-12-28(55-35(49)18(17)2)40(5,50)26-9-8-22-21-7-6-19-13-20(14-27(42)39(19,4)23(21)10-11-38(22,26)3)52-37-34(48)32(46)30(44)25(54-37)16-51-36-33(47)31(45)29(43)24(15-41)53-36/h6,20-34,36-37,41-48,50H,7-16H2,1-5H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,36-,37-,38+,39+,40-/m1/s1

InChIKey

MKCYAASFWFGIJK-BWBMWEGTSA-N

Smiles

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)C)C)O)C