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GYPSOGENIC-ACID;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID
SpectraBase Compound ID 5BDMmr6LQXq
InChI InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey PAIBKVQNJKUVCE-JUENUIDLSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AUelPVCljL
Name GYPSOGENIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey PAIBKVQNJKUVCE-JUENUIDLSA-N
Literature Reference Author K.HIDAKA,M.ITO,Y.MATSUDA,H.KOHDA,K.YAMASAKI,J.YAMAHARA
Literature Reference Citation PHYTOCHEM.,26,2023(1987)
Literature Reference DOI 10.1016/S0031-9422(00)81750-1
Molecular Weight 486.692 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK508