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SODIUM_3,4-METHYLENEDIOXY-5,4'-DIMETHOXY-3'-(L-TYROSYL)-AMIDO-Z-STILBENE-3'-O,N-(ALPHA)-DIPHOSPHATE

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SODIUM_3,4-METHYLENEDIOXY-5,4'-DIMETHOXY-3'-(L-TYROSYL)-AMIDO-Z-STILBENE-3'-O,N-(ALPHA)-DIPHOSPHATE
SpectraBase Compound ID GGyAnKe6IvD
InChI InChI=1S/C26H28N2O12P2.3Na/c1-36-22-10-7-16(3-4-18-13-23(37-2)25-24(14-18)38-15-39-25)11-20(22)27-26(29)21(28-41(30,31)32)12-17-5-8-19(9-6-17)40-42(33,34)35;;;/h3-11,13-14,21H,12,15H2,1-2H3,(H,27,29)(H2,33,34,35)(H3,28,30,31,32);;;/q;3*+1/p-3/b4-3-;;;/t21-;;;/m1.../s1
InChIKey QDZBRAFYSBGCNA-BBUBTVGISA-K
Mol Weight 688.40483184 g/mol
Molecular Formula C26H25N2Na3O12P2
Exact Mass 688.057581 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EacV1gKxPi
Name SODIUM_3,4-METHYLENEDIOXY-5,4'-DIMETHOXY-3'-(L-TYROSYL)-AMIDO-Z-STILBENE-3'-O,N-(ALPHA)-DIPHOSPHATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24N2Na3O12P2
InChI InChI=1S/C26H28N2O12P2.3Na/c1-36-22-10-7-16(3-4-18-13-23(37-2)25-24(14-18)38-15-39-25)11-20(22)27-26(29)21(28-41(30,31)32)12-17-5-8-19(9-6-17)40-42(33,34)35;;;/h3-11,13-14,21H,12,15H2,1-2H3,(H,27,29)(H2,33,34,35)(H3,28,30,31,32);;;/q;3*+1/p-3/b4-3-;;;/t21-;;;/m1.../s1
InChIKey QDZBRAFYSBGCNA-BBUBTVGISA-K
Literature Reference Author G.R.PETTIT,C.R.ANDERSON,E.J.GAPUD,M.K.JUNG,J.C.KNIGHT,E.HAME L,R.K.PETTIT
Literature Reference Citation J.NAT.PROD.,68,1191(2005)
Literature Reference DOI 10.1021/np058033l
Solvent DMSO-D6
Source File Reference UWMZ13246