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QUERCINIC-ACID-C;3-BETA,12-BETA-DIHYDROXY-24-METHYL-23-OXOLANOST-8-EN-26-OIC-ACID
SpectraBase Compound ID 2DIf7k6030N
InChI InChI=1S/C31H50O5/c1-17(15-23(32)18(2)19(3)27(35)36)20-11-14-30(7)21-9-10-24-28(4,5)25(33)12-13-29(24,6)22(21)16-26(34)31(20,30)8/h17-20,24-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17-,18+,19?,20-,24+,25+,26-,29-,30+,31+/m1/s1
InChIKey UREYGWKJWUPQSC-WMLUUKQJSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZF0XnEkHN9
Name QUERCINIC-ACID-C;3-BETA,12-BETA-DIHYDROXY-24-METHYL-23-OXOLANOST-8-EN-26-OIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-17(15-23(32)18(2)19(3)27(35)36)20-11-14-30(7)21-9-10-24-28(4,5)25(33)12-13-29(24,6)22(21)16-26(34)31(20,30)8/h17-20,24-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17-,18+,19?,20-,24+,25+,26-,29-,30+,31+/m1/s1
InChIKey UREYGWKJWUPQSC-WMLUUKQJSA-N
Literature Reference Author J.ROESECKE,W.A.KOENIG
Literature Reference Citation PHYTOCHEM.,54,757(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00130-8
Molecular Weight 502.735 g/mol
Solvent C5D5N
Source File Reference UWLU1452