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GRAHAMINE_B;2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-TIGLOXYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-4-PHENYLCYCLOBUTANE
SpectraBase Compound ID 9OqRNdAIlZE
InChI InChI=1S/C35H46N2O9/c1-6-18(2)32(41)45-26-15-21-13-23(17-25(26)37(21)5)44-33(42)30-28(19-10-8-7-9-11-19)29(31(39)40)35(30,3)34(43)46-27-14-20-12-22(38)16-24(27)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,39,40)/b18-6+/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29+,30+,35-/m0/s1
InChIKey BUFUGHAGZDAHJK-JWOODUFHSA-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 5bza5eGkQZ0
Name GRAHAMINE_B;2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-TIGLOXYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-4-PHENYLCYCLOBUTANE
Compound Number 2
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)32(41)45-26-15-21-13-23(17-25(26)37(21)5)44-33(42)30-28(19-10-8-7-9-11-19)29(31(39)40)35(30,3)34(43)46-27-14-20-12-22(38)16-24(27)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,39,40)/b18-6+/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29+,30+,35-/m0/s1
InChIKey BUFUGHAGZDAHJK-JWOODUFHSA-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 39534
Solvent CD3OD