John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LwnFmQQfkUU SpectraBase Spectrum ID=2vHxeCuaEse

(accessed ).
BETA-AMYRIN-3-DOCOSANOATE;OLEAN-12-EN-3-BETA-DOCOSANOATE;MIXTURE;N=19
SpectraBase Compound ID LwnFmQQfkUU
InChI InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40-,41-,42+,43-,47+,48-,49+,50+/m0/s1
InChIKey KWGUACFRAIZODN-LKLZYUOLSA-N
Mol Weight 721.3 g/mol
Molecular Formula C50H88O2
Exact Mass 720.678433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vHxeCuaEse
Name BETA-AMYRIN-3-DOCOSANOATE;OLEAN-12-EN-3-BETA-DOCOSANOATE;MIXTURE;N=19
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H88O2
InChI InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40-,41-,42+,43-,47+,48-,49+,50+/m0/s1
InChIKey KWGUACFRAIZODN-LKLZYUOLSA-N
Literature Reference Author Y.C.KOAY,K.C.WONG,H.OSMAN,I.M.S.ELDEEN,M.Z.ASMAWI
Literature Reference Citation REC.NAT.PROD.,7,59(2013)
Molecular Weight 721.248 g/mol
Solvent CDCl3
Source File Reference UWLU80836
SpectraBase Batch ID J7Dh69rfUD4