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METHYL-3-BETA,16-ALPHA-DIHYDROXY-OLEAN-12-EN-23-AL-28-OATE
SpectraBase Compound ID GSUEAPaZ3To
InChI InChI=1S/C31H48O5/c1-26(2)14-15-31(25(35)36-7)20(16-26)19-8-9-22-27(3)12-11-23(33)28(4,18-32)21(27)10-13-29(22,5)30(19,6)17-24(31)34/h8,18,20-24,33-34H,9-17H2,1-7H3/t20-,21+,22+,23-,24+,27-,28-,29+,30+,31+/m0/s1
InChIKey ZCHCDZMEGXJDKA-FRHFLNIHSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYVCzTaWF4N
Name METHYL-3-BETA,16-ALPHA-DIHYDROXY-OLEAN-12-EN-23-AL-28-OATE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-26(2)14-15-31(25(35)36-7)20(16-26)19-8-9-22-27(3)12-11-23(33)28(4,18-32)21(27)10-13-29(22,5)30(19,6)17-24(31)34/h8,18,20-24,33-34H,9-17H2,1-7H3/t20-,21+,22+,23-,24+,27-,28-,29+,30+,31+/m0/s1
InChIKey ZCHCDZMEGXJDKA-FRHFLNIHSA-N
Literature Reference Author S.B.MAHATO,A.P.KUNDU
Literature Reference Citation PHYTOCHEM.,37,1517(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89569-2
Molecular Weight 500.719 g/mol
Solvent CDCl3
Source File Reference UWMS5146