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METHYL-3-BETA-O-ACETYL-12-ALPHA,13-ALPHA-EPOXY-18-BETA-OLEANOLATE
SpectraBase Compound ID JdJt1W0yyY8
InChI InChI=1S/C33H52O5/c1-20(34)37-24-11-12-29(6)21(28(24,4)5)10-13-30(7)22(29)18-25-33(38-25)23-19-27(2,3)14-16-32(23,26(35)36-9)17-15-31(30,33)8/h21-25H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,29-,30+,31-,32-,33-/m0/s1
InChIKey ZJTPDYWAYXCADI-NUFMUAFXSA-N
Mol Weight 528.8 g/mol
Molecular Formula C33H52O5
Exact Mass 528.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yjV0QbZ4WH
Name METHYL-3-BETA-O-ACETYL-12-ALPHA,13-ALPHA-EPOXY-18-BETA-OLEANOLATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O5
InChI InChI=1S/C33H52O5/c1-20(34)37-24-11-12-29(6)21(28(24,4)5)10-13-30(7)22(29)18-25-33(38-25)23-19-27(2,3)14-16-32(23,26(35)36-9)17-15-31(30,33)8/h21-25H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,29-,30+,31-,32-,33-/m0/s1
InChIKey ZJTPDYWAYXCADI-NUFMUAFXSA-N
Literature Reference Author I.OKAMOTO,T.TAKEYA,Y.KAGAWA,E.KOTANI
Literature Reference Citation CHEM.PHARM.BULL.,48,120(2000)
Literature Reference DOI 10.1248/cpb.48.120
Molecular Weight 528.773 g/mol
Solvent CDCl3
Source File Reference UWLU4845