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Substance Name: Withanone
RN: 27570-38-3
UNII: GY036XA633
InChIKey: FAZIYUIDUNHZRG-PCTWTJKKSA-N

Note

  • Protects against methoxyacetic acid toxicitiy; isolated from Withania somnifera.

Molecular Formula

  • C28-H38-O6

Molecular Weight

  • 470.6022
 
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Names and Synonyms

Name of Substance

  • Withanone

Synonyms

  • (5alpha,6alpha,7alpha,22R)-5,17-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • NSC-179884
  • UNII-GY036XA633
  • Withanone
  • Withanone (constituent of ashwagandha root) [DSC]

Registry Numbers

CAS Registry Number

  • 27570-38-3

FDA UNII

  • GY036XA633

System Generated Number

  • 0027570383

Structure Descriptors

InChI

1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1

InChIKey

FAZIYUIDUNHZRG-PCTWTJKKSA-N

Smiles

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C