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(Z)_AND_(E)-1-ACETYL-2,5-DIHYDROXY-2-(2-METHYL-1,3-DIOXOLAN-2-YL-METHYL)-1,2,3,4-TETRAHYDROANTHRAQUINONE
SpectraBase Compound ID AZWaXpjmKfs
InChI InChI=1S/2C21H22O7/c2*1-11(22)17-16-13(6-7-21(17,26)10-20(2)27-8-9-28-20)18(24)15-12(19(16)25)4-3-5-14(15)23/h2*3-5,17,23,26H,6-10H2,1-2H3/t17-,21+;17-,21-/m11/s1
InChIKey HXUXYWLFHOOGNL-ATSSYFLFSA-N
Mol Weight 772.8 g/mol
Molecular Formula C42H44O14
Exact Mass 772.273106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCLPzV9w80B
Name (Z)_AND_(E)-1-ACETYL-2,5-DIHYDROXY-2-(2-METHYL-1,3-DIOXOLAN-2-YL-METHYL)-1,2,3,4-TETRAHYDROANTHRAQUINONE
Compound Number 13A_AND_14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O14
InChI InChI=1S/2C21H22O7/c2*1-11(22)17-16-13(6-7-21(17,26)10-20(2)27-8-9-28-20)18(24)15-12(19(16)25)4-3-5-14(15)23/h2*3-5,17,23,26H,6-10H2,1-2H3/t17-,21+;17-,21-/m11/s1
InChIKey HXUXYWLFHOOGNL-ATSSYFLFSA-N
Literature Reference Author K.KROHN,N.BOEKER,U.FLOERKE,C.FREUND
Literature Reference Citation J.ORG.CHEM.,62,2350(1997)
Literature Reference DOI 10.1021/jo9622587
Molecular Weight 772.803 g/mol
Solvent CDCl3
Source File Reference UWMZ4291