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D2;[1,2-DIMETHOXY-10-METHYLSULPHANYL-9-OXO-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDROPYRAN-2-YLOXY)-5,6,7,9-TETRAHYDRO-BENZO-[A]-HEPTALEN-7-YL)-AMINE
SpectraBase Compound ID 1vouMTsPMFO
InChI InChI=1S/C25H31NO9S/c1-32-23-16(34-25-22(31)21(30)20(29)17(10-27)35-25)8-11-4-6-14(26)13-9-15(28)18(36-3)7-5-12(13)19(11)24(23)33-2/h5,7-9,14,17,20-22,25,27,29-31H,4,6,10,26H2,1-3H3/t14?,17-,20-,21+,22-,25-/m1/s1
InChIKey RJAWLKAFTABSNI-SUJRTOFQSA-N
Mol Weight 521.58 g/mol
Molecular Formula C25H31NO9S
Exact Mass 521.171953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cWLeBL4Lvb
Name D2;[1,2-DIMETHOXY-10-METHYLSULPHANYL-9-OXO-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDROPYRAN-2-YLOXY)-5,6,7,9-TETRAHYDRO-BENZO-[A]-HEPTALEN-7-YL)-AMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO9S
InChI InChI=1S/C25H31NO9S/c1-32-23-16(34-25-22(31)21(30)20(29)17(10-27)35-25)8-11-4-6-14(26)13-9-15(28)18(36-3)7-5-12(13)19(11)24(23)33-2/h5,7-9,14,17,20-22,25,27,29-31H,4,6,10,26H2,1-3H3/t14?,17-,20-,21+,22-,25-/m1/s1
InChIKey RJAWLKAFTABSNI-SUJRTOFQSA-N
Literature Reference Author E.DELGROSSO,S.APRILE,G.GROSA
Literature Reference Citation J.PHARM.BIOM.ANAL.,61,215(2012)
Literature Reference DOI 10.1016/j.jpba.2011.12.008
Molecular Weight 521.582 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44040