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PISCROSIDE-A;6'-O-VANILLOYL-3,4-DIHYDRO-CATALPOL
SpectraBase Compound ID H8v7U5E6f50
InChI InChI=1S/C23H30O13/c1-31-12-6-9(2-3-11(12)25)20(30)33-7-13-16(27)17(28)18(29)22(34-13)35-21-14-10(4-5-32-21)15(26)19-23(14,8-24)36-19/h2-3,6,10,13-19,21-22,24-29H,4-5,7-8H2,1H3/t10-,13+,14-,15+,16+,17-,18+,19+,21+,22-,23-/m1/s1
InChIKey OVTGRHIQCKDQOZ-WWQKLLNCSA-N
Mol Weight 514.48 g/mol
Molecular Formula C23H30O13
Exact Mass 514.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9KUrhVoU4t
Name PISCROSIDE-A;6'-O-VANILLOYL-3,4-DIHYDRO-CATALPOL
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30O13
InChI InChI=1S/C23H30O13/c1-31-12-6-9(2-3-11(12)25)20(30)33-7-13-16(27)17(28)18(29)22(34-13)35-21-14-10(4-5-32-21)15(26)19-23(14,8-24)36-19/h2-3,6,10,13-19,21-22,24-29H,4-5,7-8H2,1H3/t10-,13+,14-,15+,16+,17-,18+,19+,21+,22-,23-/m1/s1
InChIKey OVTGRHIQCKDQOZ-WWQKLLNCSA-N
Literature Reference Author B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA
Literature Reference Citation CHEM.PHARM.BULL.,57,765(2009)
Literature Reference DOI 10.1248/cpb.57.765
Molecular Weight 514.483 g/mol
Sample ID 2624
Solvent DMSO-D6