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WITHANGULATIN_C;2,3-DIHYDRO-15-METHOXYWITHANGULATIN_B
SpectraBase Compound ID 3yB44hJeYA6
InChI InChI=1S/C29H42O9/c1-14-11-20(37-23(32)15(14)2)26(5,33)27(34)13-22(36-6)28(35)17-12-21-29(38-21)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31,33-35H,7-13H2,1-6H3/t16-,17+,19-,20?,21+,22-,24+,25-,26?,27-,28-,29+/m0/s1
InChIKey HHRFLEWOTNKYIA-YAVMJMLZSA-N
Mol Weight 534.6 g/mol
Molecular Formula C29H42O9
Exact Mass 534.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KiFTjdpU0H
Name WITHANGULATIN_C;2,3-DIHYDRO-15-METHOXYWITHANGULATIN_B
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O9
InChI InChI=1S/C29H42O9/c1-14-11-20(37-23(32)15(14)2)26(5,33)27(34)13-22(36-6)28(35)17-12-21-29(38-21)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31,33-35H,7-13H2,1-6H3/t16-,17+,19-,20?,21+,22-,24+,25-,26?,27-,28-,29+/m0/s1
InChIKey HHRFLEWOTNKYIA-YAVMJMLZSA-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 534.647 g/mol
Sample ID 30701
Solvent CDCl3