John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ZqCz0aShdx SpectraBase Spectrum ID=28gTK7gNFUG

(accessed ).
3-ALPHA,21-BETA-DIHYDROXY-11-ALPHA-METHOXY-OLEAN-12-ENE
SpectraBase Compound ID ZqCz0aShdx
InChI InChI=1S/C31H52O3/c1-26(2)17-20-19-16-21(34-9)25-29(6)12-11-23(32)27(3,4)22(29)10-13-31(25,8)30(19,7)15-14-28(20,5)18-24(26)33/h16,20-25,32-33H,10-15,17-18H2,1-9H3/t20-,21+,22-,23+,24-,25+,28-,29-,30+,31+/m0/s1
InChIKey JEJMNORHOUMHQX-PXOODBAWSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28gTK7gNFUG
Name 3-ALPHA,21-BETA-DIHYDROXY-11-ALPHA-METHOXY-OLEAN-12-ENE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-26(2)17-20-19-16-21(34-9)25-29(6)12-11-23(32)27(3,4)22(29)10-13-31(25,8)30(19,7)15-14-28(20,5)18-24(26)33/h16,20-25,32-33H,10-15,17-18H2,1-9H3/t20-,21+,22-,23+,24-,25+,28-,29-,30+,31+/m0/s1
InChIKey JEJMNORHOUMHQX-PXOODBAWSA-N
Literature Reference Author D.CACERES-CASTILLO,G.J.MENA-REJON,R.CEDILLO-RIVERA,L.QUIJANO
Literature Reference Citation PHYTOCHEM.,69,1057(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.10.016
Molecular Weight 472.752 g/mol
Sample ID 43287
Solvent CDCl3
SpectraBase Batch ID 3T2rHM9X2b4