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DRACUNCULIFOSIDE-B;3-HYDROXY-4-[(6-O-(E)-CAFFEOYL)-BETA-D-GLUCOPYRANOSYL]-OXY-BENZOIC-ACID
SpectraBase Compound ID 6djWnJQrgN9
InChI InChI=1S/C22H22O12/c23-12-4-1-10(7-13(12)24)2-6-17(26)32-9-16-18(27)19(28)20(29)22(34-16)33-15-5-3-11(21(30)31)8-14(15)25/h1-8,16,18-20,22-25,27-29H,9H2,(H,30,31)/b6-2+/t16-,18-,19+,20-,22-/m0/s1
InChIKey UHEUVGKZEYAYTJ-ZOKAWIDBSA-N
Mol Weight 478.41 g/mol
Molecular Formula C22H22O12
Exact Mass 478.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPjmO8AT8w3
Name DRACUNCULIFOSIDE-B;3-HYDROXY-4-[(6-O-(E)-CAFFEOYL)-BETA-D-GLUCOPYRANOSYL]-OXY-BENZOIC-ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O12
InChI InChI=1S/C22H22O12/c23-12-4-1-10(7-13(12)24)2-6-17(26)32-9-16-18(27)19(28)20(29)22(34-16)33-15-5-3-11(21(30)31)8-14(15)25/h1-8,16,18-20,22-25,27-29H,9H2,(H,30,31)/b6-2+/t16-,18-,19+,20-,22-/m0/s1
InChIKey UHEUVGKZEYAYTJ-ZOKAWIDBSA-N
Literature Reference Author Y.NAGATANI,T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,49,1388(2001)
Literature Reference DOI 10.1248/cpb.49.1388
Molecular Weight 478.409 g/mol
Solvent CD3OD
Source File Reference UWVN29097