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Santonin
SpectraBase Compound ID Jieimlulr03
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey XJHDMGJURBVLLE-BOCCBSBMSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol
Enantiomer InChIKey XJHDMGJURBVLLE-YWGZHDIYSA-N
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample P. S. Pregosin, E. W. Randall J. Chem. Soc. Perkin Trans. I, 1972, 299
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent UNKNOWN
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Chloroform
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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 223085
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique KBr WAFER
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 223085
Technique Mull
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 223085
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 223085
Solvent CDCl3
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 223085
  • 6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid, delta-lactone
  • XJHDMGJURBVLLE-BOCCBSBMSA-N
  • (3S,3AS,5AS,9BS)-3A,5,5A,9B-TETRAHYDRO-3,5A,9-TRIMETHYLNAPHTHA-[1,2-B]-FURAN-2,8(3H,4H)-DIONE
  • 6alpha-HYDROXY-3-OXOEUDESMA-1,4-DIEN-12-OIC ACID, gamma-LACTONE
  • (-)-(11S)-6alpha-HYDROXY-3-OXOEUDESMA-1,4-DIEN-12-OIC ACID, gamma-LACTONE
  • .alpha.-Santonin
  • EUDESMA-1,4-DIEN-12-OIC ACID, 6A- HYDROXY-3-OXO-, G-LACTONE
  • A-SANTONIN, /minus/-,

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