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PQQIABJSQBQEFM-GKCUWQLESA-N
SpectraBase Compound ID 3o62mK4j5GI
InChI InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1
InChIKey PQQIABJSQBQEFM-GKCUWQLESA-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 67gfNPtol63
Name PQQIABJSQBQEFM-GKCUWQLESA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3/t20?,21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1
InChIKey PQQIABJSQBQEFM-GKCUWQLESA-N
Literature Reference Author V.U.AHMAD,W.AHMED,K.USMANGHANI
Literature Reference Citation PHYTOCHEM.,31,2805(1992)
Literature Reference DOI 10.1016/0031-9422(92)83635-C
Molecular Weight 502.735 g/mol
Solvent CD3OD
Source File Reference UWMZ23271