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(1S,2E,4Z,7E,11E,13S)-13-ACETOXYCEMBRA-2,4,7,11-TETRAENE
SpectraBase Compound ID 5VUxNEtVo07
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9-10,12-14,16,21-22H,7-8,11,15H2,1-6H3/b14-13-,17-9-,18-10-,19-12-/t21-,22-/m0/s1
InChIKey GQGWNCKPKTVEPQ-XPYZZPHQSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoJjxGwScuF
Name (1S,2E,4Z,7E,11E,13S)-13-ACETOXYCEMBRA-2,4,7,11-TETRAENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9-10,12-14,16,21-22H,7-8,11,15H2,1-6H3/b14-13-,17-9-,18-10-,19-12-/t21-,22-/m0/s1
InChIKey GQGWNCKPKTVEPQ-XPYZZPHQSA-N
Literature Reference Author A.V.VOROBJEV,M.M.SHAKIROV,V.A.RALDUGIN,C.H.HEATHCOCK
Literature Reference Citation J.ORG.CHEM.,60,63(1995)
Literature Reference DOI 10.1021/jo00106a015
Molecular Weight 330.511 g/mol
Solvent Unknown
Source File Reference UWRU3188