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6-O-DEMETHYL-6-[6-(1,2-DIACETOXYETHYL)-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
SpectraBase Compound ID 7iwq3UMcCZy
InChI InChI=1S/C38H42O15/c1-20(39)48-18-28(50-21(2)40)29-19-49-35(47-6)36(52-29)51-25-16-26(45-4)32-27(17-25)53-38(23-12-14-24(44-3)15-13-23)31(22-10-8-7-9-11-22)30(34(42)46-5)33(41)37(32,38)43/h7-17,28-31,33,35-36,41,43H,18-19H2,1-6H3/t28-,29-,30-,31-,33-,35-,36-,37+,38+/m1/s1
InChIKey IRPMXIQYUIRQNV-TVUKHIJQSA-N
Mol Weight 738.7 g/mol
Molecular Formula C38H42O15
Exact Mass 738.252371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfB9PseQgDq
Name 6-O-DEMETHYL-6-[6-(1,2-DIACETOXYETHYL)-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O15
InChI InChI=1S/C38H42O15/c1-20(39)48-18-28(50-21(2)40)29-19-49-35(47-6)36(52-29)51-25-16-26(45-4)32-27(17-25)53-38(23-12-14-24(44-3)15-13-23)31(22-10-8-7-9-11-22)30(34(42)46-5)33(41)37(32,38)43/h7-17,28-31,33,35-36,41,43H,18-19H2,1-6H3/t28-,29-,30-,31-,33-,35-,36-,37+,38+/m1/s1
InChIKey IRPMXIQYUIRQNV-TVUKHIJQSA-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 738.742 g/mol
Solvent CDCl3
Source File Reference UWVN21324