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WITHANGULATIN_E;2,3-DIHYDRO-4-BETA-METHOXYWITHANOLIDE_E
SpectraBase Compound ID 2JsHAjzBYpc
InChI InChI=1S/C29H42O8/c1-15-13-21(36-23(31)16(15)2)26(5,32)28(34)12-11-27(33)18-14-22-29(37-22)20(35-6)8-7-19(30)25(29,4)17(18)9-10-24(27,28)3/h17-18,20-22,32-34H,7-14H2,1-6H3/t17-,18+,20-,21?,22+,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey RVCHUXQIKHDNFT-MJBSLYBTSA-N
Mol Weight 518.6 g/mol
Molecular Formula C29H42O8
Exact Mass 518.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvpjgMX0yee
Name WITHANGULATIN_E;2,3-DIHYDRO-4-BETA-METHOXYWITHANOLIDE_E
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O8
InChI InChI=1S/C29H42O8/c1-15-13-21(36-23(31)16(15)2)26(5,32)28(34)12-11-27(33)18-14-22-29(37-22)20(35-6)8-7-19(30)25(29,4)17(18)9-10-24(27,28)3/h17-18,20-22,32-34H,7-14H2,1-6H3/t17-,18+,20-,21?,22+,24-,25-,26-,27+,28-,29+/m0/s1
InChIKey RVCHUXQIKHDNFT-MJBSLYBTSA-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 518.648 g/mol
Sample ID 30703
Solvent CDCl3