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3-DEHYDROXYLPRESINULAROLIDE_BX
SpectraBase Compound ID IQhDBzbHvOL
InChI InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7+,15-8+,17-10-/t18-,19+/m1/s1
InChIKey KXVIJXIRUBWYDB-WJEGPQOWSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aZ32YaIDr4
Name 3-DEHYDROXYLPRESINULAROLIDE_BX
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7+,15-8+,17-10-/t18-,19+/m1/s1
InChIKey KXVIJXIRUBWYDB-WJEGPQOWSA-N
Literature Reference Author W.ZHANG,K.KROHN,J.DING,Z.H.MIAO,X.H.ZHOU,S.H.CHEN,G.PESCITEL LI,P.SALVADORI,T.KUR
Literature Reference Citation J.NAT.PROD.,71,961(2008)
Literature Reference DOI 10.1021/np800081p
Molecular Weight 316.441 g/mol
Sample ID 28386
Solvent CDCl3