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N(6)-OHBA-5'-SMP;N(6)-(ORTHO-HYDROXYBENZYL)-ADENOSINE-5'-S-METHYL-PHOSPOROTHIOLATE
SpectraBase Compound ID FdHGfZOuEE8
InChI InChI=1S/2C18H24N5O7PS/c2*1-32-31(27,28)29-7-12-14(25)15(26)18(30-12)23-9-22-13-16(20-8-21-17(13)23)19-6-10-4-2-3-5-11(10)24/h2*2-5,8-9,12,14-15,18,24-28,31H,6-7H2,1H3,(H,19,20,21)/t2*12-,14-,15-,18-/m11/s1
InChIKey KPSROPSKLFMUSY-RFDXPXDJSA-N
Mol Weight 970.9 g/mol
Molecular Formula C36H48N10O14P2S2
Exact Mass 970.226813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x1fACvJn9u
Name N(6)-OHBA-5'-SMP;N(6)-(ORTHO-HYDROXYBENZYL)-ADENOSINE-5'-S-METHYL-PHOSPOROTHIOLATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N10O14P2S2
InChI InChI=1S/2C18H24N5O7PS/c2*1-32-31(27,28)29-7-12-14(25)15(26)18(30-12)23-9-22-13-16(20-8-21-17(13)23)19-6-10-4-2-3-5-11(10)24/h2*2-5,8-9,12,14-15,18,24-28,31H,6-7H2,1H3,(H,19,20,21)/t2*12-,14-,15-,18-/m11/s1
InChIKey KPSROPSKLFMUSY-RFDXPXDJSA-N
Literature Reference Author M.ETO,M.IIO,H.OMURA,M.ETO
Literature Reference Citation AGR.BIOL.CHEM.,55,1999(1991)
Literature Reference DOI 10.1271/bbb1961.55.1999
Molecular Weight 964.856 g/mol
Solvent D2O
Source File Reference UWBT7778