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Premyrsinol-3-propanoate-5-isobutyrate - 7,13,17-Triacetate
SpectraBase Compound ID JIF1VH1pIos
InChI InChI=1S/C33H48O12/c1-11-22(37)43-25-16(4)13-33(40)24(25)27(44-28(38)15(2)3)32(14-41-17(5)34)21(42-18(6)35)12-20-23(30(20,8)9)26(32)31(10,29(33)39)45-19(7)36/h15-16,20-21,23-27,40H,11-14H2,1-10H3/t16-,20-,21+,23-,24+,25-,26-,27+,31-,32+,33+/m0/s1
InChIKey QICPIDYQTBMXLI-HAUPHRLVSA-N
Mol Weight 636.7 g/mol
Molecular Formula C33H48O12
Exact Mass 636.314577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EoLgVyNRzjr
Name PREMYRSINOL-3-PROPANOATE-5-ISOBUTYRATE-7,13,17-TRIACETATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H48O12
InChI InChI=1S/C33H48O12/c1-11-22(37)43-25-16(4)13-33(40)24(25)27(44-28(38)15(2)3)32(14-41-17(5)34)21(42-18(6)35)12-20-23(30(20,8)9)26(32)31(10,29(33)39)45-19(7)36/h15-16,20-21,23-27,40H,11-14H2,1-10H3/t16-,20-,21+,23-,24+,25-,26-,27+,31-,32+,33+/m0/s1
InChIKey QICPIDYQTBMXLI-HAUPHRLVSA-N
Literature Reference Author G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO
Literature Reference Citation J.NAT.PROD.,62,1399(1999)
Literature Reference DOI 10.1021/np990209u
Molecular Weight 636.737 g/mol
Solvent CDCl3
Source File Reference UWCS20806