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3-ACETYL-6-OXO-METHYL-SUMARESINOLATE
SpectraBase Compound ID 4GxB8lK2dgN
InChI InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22-,24?,25-,26-,30+,31+,32+,33-/m0/s1
InChIKey AXKBLMKSCAWBGH-MOOYLCDBSA-N
Mol Weight 526.8 g/mol
Molecular Formula C33H50O5
Exact Mass 526.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJeh8eynHCG
Name 3-ACETYL-6-OXO-METHYL-3-EPI-SUMARESINOLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H50O5
InChI InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22-,24?,25-,26-,30+,31+,32+,33-/m0/s1
InChIKey AXKBLMKSCAWBGH-MOOYLCDBSA-N
Literature Reference Author W.R.CHAN,V.SHEPPARD,K.A.MEDFORD,W.F.TINTO,W.F.REYNOLDS,S.MCL EAN
Literature Reference Citation J.NAT.PROD.,55,963(1992)
Literature Reference DOI 10.1021/np50085a020
Molecular Weight 526.757 g/mol
Solvent CDCl3
Source File Reference UWCS5664