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LUPEOL,3-METHYLETHER
SpectraBase Compound ID J2gbOV4Q56l
InChI InChI=1S/C31H52O/c1-20(2)21-12-15-28(5)18-19-30(7)22(26(21)28)10-11-24-29(6)16-14-25(32-9)27(3,4)23(29)13-17-31(24,30)8/h21-26H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26+,28+,29-,30+,31+/m0/s1
InChIKey KZKFBEQAUKRRAG-VOAUEXJWSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yzKCRPsoQU
Name LUPEOL,3-METHYLETHER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-20(2)21-12-15-28(5)18-19-30(7)22(26(21)28)10-11-24-29(6)16-14-25(32-9)27(3,4)23(29)13-17-31(24,30)8/h21-26H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26+,28+,29-,30+,31+/m0/s1
InChIKey KZKFBEQAUKRRAG-VOAUEXJWSA-N
Literature Reference Author J.W.BLUNT,M.H.G.MUNRO
Literature Reference Citation ORG.MAGN.RES.,13,26(1980)
Literature Reference DOI 10.1002/mrc.1270130106
Molecular Weight 440.753 g/mol
Solvent CDCl3
Source File Reference UNIW3886