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21,22-DIANGELOYL-24-HYDROXY-R1-BARRIGENOL
SpectraBase Compound ID 4ey33cYH4Rq
InChI InChI=1S/C40H62O9/c1-11-22(3)33(46)48-31-32(49-34(47)23(4)12-2)40(21-42)25(19-35(31,5)6)24-13-14-27-36(7)17-16-28(43)37(8,20-41)26(36)15-18-38(27,9)39(24,10)29(44)30(40)45/h11-13,25-32,41-45H,14-21H2,1-10H3/b22-11+,23-12+
InChIKey HTFLRCQZFNIBFM-LCHFAGMQSA-N
Mol Weight 686.9 g/mol
Molecular Formula C40H62O9
Exact Mass 686.439384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96VX2VPsMCD
Name 21,22-DIANGELOYL-24-HYDROXY-R1-BARRIGENOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H62O9
InChI InChI=1S/C40H62O9/c1-11-22(3)33(46)48-31-32(49-34(47)23(4)12-2)40(21-42)25(19-35(31,5)6)24-13-14-27-36(7)17-16-28(43)37(8,20-41)26(36)15-18-38(27,9)39(24,10)29(44)30(40)45/h11-13,25-32,41-45H,14-21H2,1-10H3/b22-11+,23-12+
InChIKey HTFLRCQZFNIBFM-LCHFAGMQSA-N
Literature Reference Author Z.L.LI,X.LI,L.H.LI,N.LI,M.YU,D.L.MENG
Literature Reference Citation PLANTA.MED.,71,1068(2005)
Literature Reference DOI 10.1055/s-2005-873108
Molecular Weight 686.927 g/mol
Solvent C5D5N
Source File Reference UWMZ48217