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(5S)-HYDROXY16-METHYLEICOS-(3Z)-EN-1-YNE
SpectraBase Compound ID 3NOf0yPBjth
InChI InChI=1S/C21H38O/c1-4-6-16-20(3)17-14-12-10-8-9-11-13-15-19-21(22)18-7-5-2/h2,7,18,20-22H,4,6,8-17,19H2,1,3H3/b18-7-/t20?,21-/m1/s1
InChIKey JTABSNPYEJCSKG-BAYAUGFNSA-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 5taBSnpO69p
Name (5S)-HYDROXY16-METHYLEICOS-(3Z)-EN-1-YNE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O
InChI InChI=1S/C21H38O/c1-4-6-16-20(3)17-14-12-10-8-9-11-13-15-19-21(22)18-7-5-2/h2,7,18,20-22H,4,6,8-17,19H2,1,3H3/b18-7-/t20?,21-/m1/s1
InChIKey JTABSNPYEJCSKG-BAYAUGFNSA-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 UWCS22813