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Agaric acid

Compound with spectra: 2 NMR, and 1 MS (GC)

Agaric acid
SpectraBase Compound ID ECZkT7Yk289
InChI InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
InChIKey HZLCGUXUOFWCCN-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C22H40O7
Exact Mass 416.277404 g/mol

View Spectrum of Agaric acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-14-7933-0

View Spectrum of Agaric acid

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 217832
Solvent DMSO-d6

View Spectrum of Agaric acid

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 217832
Solvent DMSO-d6
  • 3-c-Carboxy-2,4-dideoxy-2-hexadecylpentaric acid
  • Agaricin
  • Agaricic acid
  • 2-Hydroxy-1,2,3-nona­decane­tricarboxylic acid
Methyl-Trimethyl citrate
Methyl (1RS,2SR)-1-Hydroxy-3-oxo-2-pentylcyclopentaneacetate
3-Hydroxy-tricyclo[4.3.1.1(3,8)]undecane-4-carboxylic acid
D-erythro-Pentaric acid, 2,4-dideoxy-3-C-(methoxycarbonyl)-4-methyl-, dimethyl ester
2-(2'-Chloro-1'-hydroxycyclohexyl)pentanoic acid
(2S)-2-[(1R,2R)-2-chloranyl-1-oxidanyl-cyclohexyl]pentanoic acid
cis,trans-3,3,4-TRIMETHYL-1,2-CYCLOHEXANEDICARBOXYLIC ACID
Ethyl cis-5-hydroxybicyclo[6.3.0]undecane-1-carboxylate
cis-endo-3-(2-Isopropoxycarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Ethyl 2,3-epoxy-3-hydroxymethyl-6-oxo-9-phenylnonanoate

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

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KnowItAll Mass Spectral Library
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