Withanolide A

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Systematic / IUPAC Name: (5α,6α,7α,8ξ,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione

ID: Reference5839

Other Names: (5α,6α,7α,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione;
Ergosta-2,24-diene-1,26-dione, 6,7:22,26-diepoxy-5,20-dihydroxy-, (5α,6α,7α,8ξ,22R)-

Formula: C28H38O6

Class: Endogenous Metabolites

Spectral Data

Withanolide A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 6:16:56 AM
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Identificators

InChI InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
InChI Key DXWHOKCXBGLTMQ-SFQAJKIESA-N
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C
CAS 32911629
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Other Names (5α,6α,7α,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione;
Ergosta-2,24-diene-1,26-dione, 6,7:22,26-diepoxy-5,20-dihydroxy-, (5α,6α,7α,8ξ,22R)-

In Other Databases

ChEMBL CHEMBL445041
Wikipedia Withanolide
PubChem 11294368
ChemSpider 9469353