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PICROSECOSIDE-I
SpectraBase Compound ID Do2tx3w8p0k
InChI InChI=1S/C31H38O17/c1-2-14-15-7-8-42-28(41)16(15)11-44-29(14)48-31-27(40)25(38)23(36)20(47-31)12-43-21(34)6-4-13-3-5-18(17(33)9-13)45-30-26(39)24(37)22(35)19(10-32)46-30/h2-6,9,11,14-15,19-20,22-27,29-33,35-40H,1,7-8,10,12H2/b6-4+/t14-,15+,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1
InChIKey VUIBEDNVXIZSAD-HDTWUDOSSA-N
Mol Weight 682.6 g/mol
Molecular Formula C31H38O17
Exact Mass 682.2109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjNZoKfTNvi
Name PICROSECOSIDE-I
Compound Number 63
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O17
InChI InChI=1S/C31H38O17/c1-2-14-15-7-8-42-28(41)16(15)11-44-29(14)48-31-27(40)25(38)23(36)20(47-31)12-43-21(34)6-4-13-3-5-18(17(33)9-13)45-30-26(39)24(37)22(35)19(10-32)46-30/h2-6,9,11,14-15,19-20,22-27,29-33,35-40H,1,7-8,10,12H2/b6-4+/t14-,15+,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1
InChIKey VUIBEDNVXIZSAD-HDTWUDOSSA-N
Literature Reference Author B.DINDA,S.DEBNATH,R.BANIK
Literature Reference Citation CHEM.PHARM.BULL.,59,803(2011)
Literature Reference DOI 10.1248/cpb.59.803
Molecular Weight 682.633 g/mol
Source File Reference UWIR3292