John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=111i4sqncu6 SpectraBase Spectrum ID=747mBysy2a1

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BrASSICOLIDE
SpectraBase Compound ID 111i4sqncu6
InChI InChI=1S/C20H30O3/c1-14-7-5-8-15(2)11-12-17(20(3,4)22)18-13-16(10-6-9-14)19(21)23-18/h8-9,13,17-18,22H,5-7,10-12H2,1-4H3/b14-9+,15-8-/t17?,18-/m0/s1
InChIKey VIPUZYFCPBOJJF-RHURRESHSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 747mBysy2a1
Name BrASSICOLIDE
Compound Number 1
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Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-14-7-5-8-15(2)11-12-17(20(3,4)22)18-13-16(10-6-9-14)19(21)23-18/h8-9,13,17-18,22H,5-7,10-12H2,1-4H3/b14-9+,15-8-/t17?,18-/m0/s1
InChIKey VIPUZYFCPBOJJF-RHURRESHSA-N
Literature Reference Author C.Y.DUH,S.K.WANG,Y.L.WENG,M.Y.CHIANG,C.F.DAI
Literature Reference Citation J.NAT.PROD.,62,1518(1999)
Literature Reference DOI 10.1021/np990212d
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference WANG1840
SpectraBase Batch ID Laz0hQ9jFqE