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6-O-DEMETHYL-6-[6-(1,2-DI-BENZOYLOXYETHYL)-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
SpectraBase Compound ID FNCbYKVqMAa
InChI InChI=1S/C48H46O15/c1-54-32-22-20-31(21-23-32)48-39(28-14-8-5-9-15-28)38(44(52)56-3)41(49)47(48,53)40-34(55-2)24-33(25-35(40)63-48)60-46-45(57-4)59-27-37(62-46)36(61-43(51)30-18-12-7-13-19-30)26-58-42(50)29-16-10-6-11-17-29/h5-25,36-39,41,45-46,49,53H,26-27H2,1-4H3/t36-,37-,38-,39-,41-,45-,46-,47+,48+/m1/s1
InChIKey UHHIPVGRQVECIQ-LXVORTGCSA-N
Mol Weight 862.9 g/mol
Molecular Formula C48H46O15
Exact Mass 862.283671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cj7DmuTtKC
Name 6-O-DEMETHYL-6-[6-(1,2-DI-BENZOYLOXYETHYL)-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H46O15
InChI InChI=1S/C48H46O15/c1-54-32-22-20-31(21-23-32)48-39(28-14-8-5-9-15-28)38(44(52)56-3)41(49)47(48,53)40-34(55-2)24-33(25-35(40)63-48)60-46-45(57-4)59-27-37(62-46)36(61-43(51)30-18-12-7-13-19-30)26-58-42(50)29-16-10-6-11-17-29/h5-25,36-39,41,45-46,49,53H,26-27H2,1-4H3/t36-,37-,38-,39-,41-,45-,46-,47+,48+/m1/s1
InChIKey UHHIPVGRQVECIQ-LXVORTGCSA-N
Literature Reference Author B.Y.HWANG,B.N.SU,H.CHAI,Q.MI,L.B.S.KARDONO,J.J.AFRIASTINI,S. RISWAN,B.D.SANTARSIE
Literature Reference Citation J.ORG.CHEM.,69,3350(2004)
Literature Reference DOI 10.1021/jo040120f
Molecular Weight 862.884 g/mol
Solvent CDCl3
Source File Reference UWVN21325