John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=745hLAgZVIE SpectraBase Spectrum ID=B0AJxqiGgMS

(accessed ).
CEANOTHETRIC-ACID;2-ALPHA-CARBOXY-3-BETA-HYDROXY-A(1)-NORLUP-20(29)-EN-27,28-DIOIC-ACID
SpectraBase Compound ID 745hLAgZVIE
InChI InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1
InChIKey BAXRQVCGTADURA-LVEYDJFSSA-N
Mol Weight 516.7 g/mol
Molecular Formula C30H44O7
Exact Mass 516.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0AJxqiGgMS
Name CEANOTHETRIC-ACID;2-ALPHA-CARBOXY-3-BETA-HYDROXY-A(1)-NORLUP-20(29)-EN-27,28-DIOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O7
InChI InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1
InChIKey BAXRQVCGTADURA-LVEYDJFSSA-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 516.675 g/mol
Sample ID 44795
Solvent C5D5N
SpectraBase Batch ID F9QYeixDVcI