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Substance Name: Withanoside IV
RN: 362472-81-9
UNII: 156GUP486T
InChIKey: VUQQGHSDHGOYRH-IFUSOADVSA-N

Note

  • A withanolide glycoside from Ashwagantha (root of Withania somnifera), an Ayurvedic medicine; improves hindlimb function by facilitating axonal growth and increase in peripheral nervous system myelin level after spinal cord injury.

Molecular Formula

  • C40-H62-O15

Molecular Weight

  • 782.9148
 
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Names and Synonyms

Name of Substance

  • Withanoside IV

Synonyms

  • Ergosta-5,24-dien-26-oic acid, 3-((6-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-1,22,27-trihydroxy-, sigma-lactone, (1alpha,3beta,22R)-
  • UNII-156GUP486T
  • Withanoside IV
  • Withanoside IV (constituent of ashwagandha root) [DSC]
  • Withanoside iv, (+)-

Registry Numbers

CAS Registry Number

  • 362472-81-9

FDA UNII

  • 156GUP486T

System Generated Number

  • 0362472819

Structure Descriptors

InChI

1S/C40H62O15/c1-17-11-26(53-36(50)22(17)14-41)18(2)23-7-8-24-21-6-5-19-12-20(13-29(43)40(19,4)25(21)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1

InChIKey

VUQQGHSDHGOYRH-IFUSOADVSA-N

Smiles

CC1=C(C(=O)O[C@H](C1)[C@@H](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)CO