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PINICOLIC-ACID-D;3-BETA-HYDROXY-16-OXOLANOSTA-7,9(11),24-TRIEN-21-OIC-ACID
SpectraBase Compound ID 31Fg6EMfsUx
InChI InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,13,19,23-25,32H,8,10,12,14-17H2,1-7H3,(H,33,34)/t19-,23-,24-,25-,28+,29+,30-/m0/s1
InChIKey ZILGTWWGYWOZLX-VPUMKLRVSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CpR2SLqFFT
Name PINICOLIC-ACID-D;3-BETA-HYDROXY-16-OXOLANOSTA-7,9(11),24-TRIEN-21-OIC-ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,13,19,23-25,32H,8,10,12,14-17H2,1-7H3,(H,33,34)/t19-,23-,24-,25-,28+,29+,30-/m0/s1
InChIKey ZILGTWWGYWOZLX-VPUMKLRVSA-N
Literature Reference Author J.ROESECKE,W.A.KOENIG
Literature Reference Citation PHYTOCHEM.,52,1621(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00349-0
Molecular Weight 468.677 g/mol
Solvent C5D5N
Source File Reference UWVN294