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(3S)-HYDROXYHENEEICOS-(4E)-EN-1-YNE
SpectraBase Compound ID 9e6GuSSXbZV
InChI InChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)4-2/h2,19-22H,3,5-18H2,1H3/b20-19+/t21-/m0/s1
InChIKey HVQYKJVJIUKLMD-CGLJGAHCSA-N
Mol Weight 306.5 g/mol
Molecular Formula C21H38O
Exact Mass 306.292266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QPBAiEGQmV
Name (3S)-HYDROXYHENEEICOS-(4E)-EN-1-YNE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O
InChI InChI=1S/C21H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)4-2/h2,19-22H,3,5-18H2,1H3/b20-19+/t21-/m0/s1
InChIKey HVQYKJVJIUKLMD-CGLJGAHCSA-N
Literature Reference Author Y.F.HALLOCK,J.H.CARDELLINA,M.S.BALASCHAK,M.R.ALEXANDER,T.R.P RATHER,R.H.SHOEMAKER
Literature Reference Citation J.NAT.PROD.,58,1801(1995)
Literature Reference DOI 10.1021/np50126a001
Molecular Weight 306.532 g/mol
Solvent CDCl3
Source File Reference UWCS22812