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GRAHAMINE_C;1-METHYL-2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-4-{[((6-BETA-ANGELOYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-3-PHENYLCYLOBUTANE
SpectraBase Compound ID GosgQXWpAju
InChI InChI=1S/C35H46N2O9/c1-6-18(2)31(39)45-27-15-21-13-23(17-25(27)37(21)5)44-32(40)29-28(19-10-8-7-9-11-19)30(35(29,3)34(42)43)33(41)46-26-14-20-12-22(38)16-24(26)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,42,43)/b18-6-/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,35+/m0/s1
InChIKey GASKASBXVJUTPJ-IRPCELBRSA-N
Mol Weight 638.8 g/mol
Molecular Formula C35H46N2O9
Exact Mass 638.320331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHh7Prd66SD
Name GRAHAMINE_C;1-METHYL-2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-4-{[((6-BETA-ANGELOYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-3-PHENYLCYLOBUTANE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46N2O9
InChI InChI=1S/C35H46N2O9/c1-6-18(2)31(39)45-27-15-21-13-23(17-25(27)37(21)5)44-32(40)29-28(19-10-8-7-9-11-19)30(35(29,3)34(42)43)33(41)46-26-14-20-12-22(38)16-24(26)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,42,43)/b18-6-/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,35+/m0/s1
InChIKey GASKASBXVJUTPJ-IRPCELBRSA-N
Literature Reference Author S.CRETTON,T.A.BARTHOLOMEUSZ,M.HUMAM,L.MARCOURT,Y.ALLENBACH,D .JEANNERAT,O.MUNOZ,P
Literature Reference Citation J.NAT.PROD.,74,2388(2011)
Literature Reference DOI 10.1021/np200450y
Molecular Weight 638.758 g/mol
Sample ID 39535
Solvent CD3OD