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METHYLISOFOVEOLATE-B;METHYL-20S,24R-EPOXY-4,25-DIHYDROXY-3,4-SECODAMMARAN-3-OATE
SpectraBase Compound ID 7lAdUB99ydt
InChI InChI=1S/C31H54O5/c1-26(2,33)22-13-18-30(7)23(28(22,5)16-15-25(32)35-9)11-10-20-21(12-17-29(20,30)6)31(8)19-14-24(36-31)27(3,4)34/h20-24,33-34H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,28+,29-,30-,31+/m1/s1
InChIKey KMTSRTXGLOZVER-NWZPQFJUSA-N
Mol Weight 506.8 g/mol
Molecular Formula C31H54O5
Exact Mass 506.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EzBLXkepxh
Name METHYLISOFOVEOLATE-B;METHYL-20S,24R-EPOXY-4,25-DIHYDROXY-3,4-SECODAMMARAN-3-OATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54O5
InChI InChI=1S/C31H54O5/c1-26(2,33)22-13-18-30(7)23(28(22,5)16-15-25(32)35-9)11-10-20-21(12-17-29(20,30)6)31(8)19-14-24(36-31)27(3,4)34/h20-24,33-34H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,28+,29-,30-,31+/m1/s1
InChIKey KMTSRTXGLOZVER-NWZPQFJUSA-N
Literature Reference Author S.POINTINGER,S.PROMDANG,S.VAJRODAYA,C.M.PANNELL,O.HOFER,K.ME REITER,H.GREGER
Literature Reference Citation PHYTOCHEM.,69,2696(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.08.025
Molecular Weight 506.767 g/mol
Sample ID 63130
Solvent CDCl3