John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C3XWsTCYu5u SpectraBase Spectrum ID=HRbruGYchbx

(accessed ).
27-HYDROXY-CEANOTHIC-ACID;2-ALPHA-CARBOXY-3-BETA,27-DIHYDROXY-A(1)-NORLUP-20(29)-EN-28-OIC-ACID
SpectraBase Compound ID C3XWsTCYu5u
InChI InChI=1S/C30H46O6/c1-16(2)17-9-12-29(25(35)36)13-14-30(15-31)18(21(17)29)7-8-20-27(30,5)11-10-19-26(3,4)23(32)22(24(33)34)28(19,20)6/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21+,22+,23-,27+,28-,29-,30-/m0/s1
InChIKey PESUICNHFIBIRR-ADCWDTJLSA-N
Mol Weight 502.7 g/mol
Molecular Formula C30H46O6
Exact Mass 502.32944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRbruGYchbx
Name 27-HYDROXY-CEANOTHIC-ACID;2-ALPHA-CARBOXY-3-BETA,27-DIHYDROXY-A(1)-NORLUP-20(29)-EN-28-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O6
InChI InChI=1S/C30H46O6/c1-16(2)17-9-12-29(25(35)36)13-14-30(15-31)18(21(17)29)7-8-20-27(30,5)11-10-19-26(3,4)23(32)22(24(33)34)28(19,20)6/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21+,22+,23-,27+,28-,29-,30-/m0/s1
InChIKey PESUICNHFIBIRR-ADCWDTJLSA-N
Literature Reference Author X.C.LI,L.CAI,C.D.WU
Literature Reference Citation PHYTOCHEM.,46,97(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00222-7
Molecular Weight 502.692 g/mol
Sample ID 44797
Solvent C5D5N
SpectraBase Batch ID EymVc1Ls7GE