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ALL-TRANS-(9'Z,11'Z)-(3R,3'S,5'R,6'R)-PYRRHOXANTHIN
SpectraBase Compound ID 1jCMUnajWr6
InChI InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t31-,33+,38+,39-/m0/s1
InChIKey YDSRGWPRPWTZCK-CHOIYNEVSA-N
Mol Weight 612.8 g/mol
Molecular Formula C39H48O6
Exact Mass 612.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sOXBBfJNUT
Name ALL-(TRANS)-([(9'Z),(11'Z)]-(3R,3'S,5'R,6'R)-PYRRHOXANTHIN
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48O6
InChI InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-33(43-29(4)40)25-36(34,5)6)14-12-10-11-13-15-27(2)20-32-22-30(35(42)44-32)18-19-39-37(7,8)23-31(41)24-38(39,9)45-39/h10-15,18-20,22,31,33,41H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20-/t31-,33+,38+,39-/m0/s1
InChIKey YDSRGWPRPWTZCK-CHOIYNEVSA-N
Literature Reference Author Z.B.CHENG,Q.LIAO,Y.CHEN,C.Q.FAN,Z.Y.HUANG,X.J.XU,S.YIN
Literature Reference Citation MAGN.RES.CHEM.,52,515(2014)
Literature Reference DOI 10.1002/mrc.4108
Molecular Weight 612.807 g/mol
Solvent CD3OD
Source File Reference UWBT15762