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WITHANGULATIN_F;4-DESMETHOXY-16-DEHYDROWITHANGULATIN_E
SpectraBase Compound ID IxnDPBYUH98
InChI InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21?,22+,24+,25-,26-,27+,28+/m0/s1
InChIKey DGQQSGDPWKERCQ-GOMUFVKPSA-N
Mol Weight 470.6 g/mol
Molecular Formula C28H38O6
Exact Mass 470.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFYkEi46dpI
Name WITHANGULATIN_F;4-DESMETHOXY-16-DEHYDROWITHANGULATIN_E
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O6
InChI InChI=1S/C28H38O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h9,17-18,21-22,31-32H,6-8,10-14H2,1-5H3/t17-,18+,21?,22+,24+,25-,26-,27+,28+/m0/s1
InChIKey DGQQSGDPWKERCQ-GOMUFVKPSA-N
Literature Reference Author A.G.DAMU,P.C.KUO,C.R.SU,T.H.KUO,T.H.CHEN,K.F.BASTOW,K.H.LEE, T.S.WU
Literature Reference Citation J.NAT.PROD.,70,1146(2007)
Literature Reference DOI 10.1021/np0701374
Molecular Weight 470.606 g/mol
Sample ID 30706
Solvent CDCl3