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(REL)-2-ALPHA-ACETOXYZUELANIN-6-BETA-CINNAMATE
SpectraBase Compound ID 3IjuQQY2ZiW
InChI InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27-,29+,30+,32+,33+,34-,35-/m0/s1
InChIKey NCMOHDQDZGQJRD-MAKSNSPRSA-N
Mol Weight 606.7 g/mol
Molecular Formula C35H42O9
Exact Mass 606.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76LNEoR4oqa
Name (REL)-2-ALPHA-ACETOXYZUELANIN-6-BETA-CINNAMATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O9
InChI InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27-,29+,30+,32+,33+,34-,35-/m0/s1
InChIKey NCMOHDQDZGQJRD-MAKSNSPRSA-N
Literature Reference Author M.R.KHAN,A.I.GRAY,D.R.REED,I.H.SADLER,P.G.WATERMAN
Literature Reference Citation PHYTOCHEM.,29,1609(1990)
Literature Reference DOI 10.1016/0031-9422(90)80131-Y
Molecular Weight 606.713 g/mol
Solvent Unknown
Source File Reference UWLU32073