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DRACOPHANE;3,12,21-TRIHYDROXY-1,10,19-TRIS-(4-HYDROXYPHENYL)-5,14,23-TRIMETHOXY-[3.3.3]-METACYCLOPHANE
SpectraBase Compound ID 4CFOdXKvhpV
InChI InChI=1S/C48H48O9/c1-55-46-25-43(52)40-22-31(46)10-19-37(28-4-13-34(49)14-5-28)41-23-33(47(56-2)26-44(41)53)12-21-39(30-8-17-36(51)18-9-30)42-24-32(48(57-3)27-45(42)54)11-20-38(40)29-6-15-35(50)16-7-29/h4-9,13-18,22-27,37-39,49-54H,10-12,19-21H2,1-3H3
InChIKey VLRAAOITKPZYPI-UHFFFAOYSA-N
Mol Weight 768.9 g/mol
Molecular Formula C48H48O9
Exact Mass 768.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7t8B0zozbqQ
Name DRACOPHANE;3,12,21-TRIHYDROXY-1,10,19-TRIS-(4-HYDROXYPHENYL)-5,14,23-TRIMETHOXY-[3.3.3]-METACYCLOPHANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48O9
InChI InChI=1S/C48H48O9/c1-55-46-25-43(52)40-22-31(46)10-19-37(28-4-13-34(49)14-5-28)41-23-33(47(56-2)26-44(41)53)12-21-39(30-8-17-36(51)18-9-30)42-24-32(48(57-3)27-45(42)54)11-20-38(40)29-6-15-35(50)16-7-29/h4-9,13-18,22-27,37-39,49-54H,10-12,19-21H2,1-3H3
InChIKey VLRAAOITKPZYPI-UHFFFAOYSA-N
Literature Reference Author D.VESELA,R.MAREK,K.UBIK,K.LUNEROVA,V.SKLENAR,V.SUCHY
Literature Reference Citation PHYTOCHEM.,61,967(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00354-0
Molecular Weight 768.904 g/mol
Solvent DMSO-D6
Source File Reference UWLU29527