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(+)-12-NOR-AMBREINOLIDE

Compound with spectra: 4 NMR, 2 FTIR, and 3 MS (GC)

(+)-12-NOR-AMBREINOLIDE
SpectraBase Compound ID 4Nl6HywJ1zY
InChI InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
InChIKey IMKJGXCIJJXALX-SHUKQUCYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol
Enantiomer InChIKey IMKJGXCIJJXALX-KOZAUXTDSA-N

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MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CBC-14-436/SM6-3a

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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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 358002
Solvent CDCl3

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ATR-IR Spectrum
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 358002

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FTIR 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 W379401
Technique Mull

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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 358002
Solvent CDCl3
  • Sclareolide
  • [(3aR,9bS)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(3aH)-one
  • (3aR)-(+)-Sclareolide
  • (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
(+)-Norambreinolide
1,1-(Dideuterio)-decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
(3aR)-(+)-Sclareolide
Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-
(+-)-5.beta.,8.alpha.-Sclareolide
Naphtho[2,1-b]furan-2(1H)-one, 3a,4,5,5a.alpha.,6,7,8,9,9a,9b.alpha.-decahydro-3a.beta.,6,6,9a.beta.-tetramethyl-
(-)-8-EPI-12-NORAMBREINOLIDE
1,1-(Dideuterio)-decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
Thiocarbonyl-(3aR)-(+)-Sclareolide
8-epi - ambreinolide
14,15-Dinor-8-acetoxylabdan-13-one
2-Butanone, 4-[2-(acetyloxy)decahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-3-pentenyl)-, acetate, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
METHYL-8-ACETYL-LABDANOLATE;(-)-(3S)-5-((1R,2R,4AS,8AS)-2-ACETOXY-2,5,5,8A-TETRAMETHYLDECAHYDRO-1-NAPHTHALENYL)-3-METHYLPENTANOIC-ACID-METHYLESTER
Title Journal or Book Year
The biotransformation of Ambrox® and sclareolide by Cephalosporium aphidicola Phytochemistry 1996
Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-
(3aR)-(+)-Sclareolide
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