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NEGUNDOAL;REL-(3S,5S,8R,9R,10S)-3-ACETOXY-9,13-EPOXY-16-NORLABDA-(13Z)-EN-15-AL
SpectraBase Compound ID ECjw2blxxzd
InChI InChI=1S/C21H32O4/c1-14-6-7-17-19(3,4)18(24-15(2)23)9-11-20(17,5)21(14)12-8-16(25-21)10-13-22/h10,13-14,17-18H,6-9,11-12H2,1-5H3/b16-10-/t14-,17+,18+,20+,21-/m1/s1
InChIKey YUIOUOHLEHUTMC-PBKAERHSSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTqkfazkGar
Name NEGUNDOAL;REL-(3S,5S,8R,9R,10S)-3-ACETOXY-9,13-EPOXY-16-NORLABDA-(13Z)-EN-15-AL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-14-6-7-17-19(3,4)18(24-15(2)23)9-11-20(17,5)21(14)12-8-16(25-21)10-13-22/h10,13-14,17-18H,6-9,11-12H2,1-5H3/b16-10-/t14-,17+,18+,20+,21-/m1/s1
InChIKey YUIOUOHLEHUTMC-PBKAERHSSA-N
Literature Reference Author C.J.ZHANG,J.PU,H.ZHANG,T.HAN,K.RAHMAN,L.P.QIN
Literature Reference Citation FITOTERAPIA,83,49(2012)
Literature Reference DOI 10.1016/j.fitote.2011.09.012
Molecular Weight 348.483 g/mol
Sample ID 71733
Solvent CDCl3