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CRATOXYXANTHONE

View entire compound with spectra: 1 NMR

CRATOXYXANTHONE
SpectraBase Compound ID 1BgjngRiXqH
InChI InChI=1S/C51H56O13/c1-23(2)14-17-26-35-29(21-33(57-9)46(26)59-11)62-32-20-31-37(45(55)38(32)43(35)53)39(50(64-31)51(7,8)56)40-48(61-13)28(19-16-25(5)6)42(52)41-44(54)36-27(18-15-24(3)4)47(60-12)34(58-10)22-30(36)63-49(40)41/h14-16,20-22,39,50,52,55-56H,17-19H2,1-13H3/t39-,50+/m1/s1
InChIKey SZCXNHGWQNEGLB-GCYBPHFGSA-N
Mol Weight 877.0 g/mol
Molecular Formula C51H56O13
Exact Mass 876.372092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzeUOIonQ37
Name CRATOXYXANTHONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H56O13
InChI InChI=1S/C51H56O13/c1-23(2)14-17-26-35-29(21-33(57-9)46(26)59-11)62-32-20-31-37(45(55)38(32)43(35)53)39(50(64-31)51(7,8)56)40-48(61-13)28(19-16-25(5)6)42(52)41-44(54)36-27(18-15-24(3)4)47(60-12)34(58-10)22-30(36)63-49(40)41/h14-16,20-22,39,50,52,55-56H,17-19H2,1-13H3/t39-,50+/m1/s1
InChIKey SZCXNHGWQNEGLB-GCYBPHFGSA-N
Literature Reference Author G.L.SIA,G.J.BENNETT,L.J.HARRISON,K.Y.SIM
Literature Reference Citation PHYTOCHEM.,38,1521(1995)
Literature Reference DOI 10.1016/0031-9422(94)00526-Y
Molecular Weight 876.998 g/mol
Solvent CDCl3
Source File Reference UWMS4088