12-Deoxywithastramonolide

For research use only. Not for therapeutic Use.

  • CAT Number: I044919
  • CAS Number: 60124-17-6
  • Molecular Formula: C28H38O6
  • Molecular Weight: 470.60
  • Purity: ≥95%
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12-Deoxywithastramonolide is a principle bioactive compound found in ashwagandha (W. somnifera). 12-Deoxywithastramonolide possesses antioxidant and enzyme inhibitory effects[1].


Catalog Number I044919
CAS Number 60124-17-6
Synonyms

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Molecular Formula C28H38O6
Purity ≥95%
InChI InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1
InChIKey AWVMHXZWAKRDGG-MEBIVHGNSA-N
SMILES CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO
Reference

[1]. Shivraj Hariram Nile, et al. Subcritical water extraction of withanosides and withanolides from ashwagandha (Withania somnifera L) and their biological activities. Food Chem Toxicol. 2019 Oct;132:110659.
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