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(4E,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol

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

(4E,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol
SpectraBase Compound ID 7jhiVeKzro7
InChI InChI=1S/C15H26O3/c1-14(10-17)8-13-12(14)6-5-11(9-16)4-3-7-15(13,2)18/h4,12-13,16-18H,3,5-10H2,1-2H3/b11-4-/t12-,13+,14-,15-/m1/s1
InChIKey ZXXPPFVLMJDNBO-MNVIUANYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol
Enantiomer InChIKey ZXXPPFVLMJDNBO-RKDASUDDSA-N

View Spectrum of (4E,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-63-47-14

View Spectrum of (4E,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-63-47-10

View Spectrum of (4E,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (1R,4Z,8R,9S,11S)-4,11-bis(hydroxymethyl)-8,11-dimethyl-8-bicyclo[7.2.0]undec-4-enol
(4-Z,8-R,11-R)-CARYOPHYLL-4-(5)-ENE-8,12,15-TRIOL
(4-Z,8-R,11-S)-CARYOPHYLL-4-(5)-ENE-8,12,14-TRIOL
(1R,4Z,8R,9S,11R)-4,11-bis(hydroxymethyl)-8,11-dimethyl-8-bicyclo[7.2.0]undec-4-enol
4,4-Dimethyltricyclo[6.3.2.0(2,5)]trideca-8-ene-1-ol
CYClOCARYOPHYLLA-4-EN-8-OL
CYCLO-CARYOPHYLLA-4-EN-8-OL;4,4-DIMETHYL-TRICYCLO-[6.3.2.0(2,5)]-TRIDEC-8-EN-1-OL
BACCIFERIN_A
(1S,2S,5R)-1-Aminotricyclo[7.2.2.0]tetradec-7-ene
PACIFICIN-Q
(1R*,2E,4R*,7E,9E,11S*,12R*)-18-HYDROXY-2,7-DOLABELLADIENE
Title Journal or Book Year
Biotransformation of (4E,8R)-Caryophyll-4(5)-en-8-ol by Botrytis cinerea Journal of Natural Products 1999

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

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