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NIRURISIDE;BETA-D-(1-O-ACETYL-3,6-O-TRANS-DICINNAMOYL)-FRUCOFURANOSYL-ALPHA-D-(2,4,6-O-TRIACETYL)-GLUCOPYRANOSYDE
SpectraBase Compound ID 1RP8XMphPqb
InChI InChI=1S/C38H42O17/c1-22(39)47-20-29-34(50-24(3)41)33(46)35(51-25(4)42)37(52-29)55-38(21-49-23(2)40)36(53-31(44)18-16-27-13-9-6-10-14-27)32(45)28(54-38)19-48-30(43)17-15-26-11-7-5-8-12-26/h5-18,28-29,32-37,45-46H,19-21H2,1-4H3/b17-15+,18-16+/t28-,29+,32-,33-,34+,35+,36+,37+,38+/m1/s1
InChIKey KUZYDHCVYKUFKF-LAJYSOTDSA-N
Mol Weight 770.7 g/mol
Molecular Formula C38H42O17
Exact Mass 770.2422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvpbeAcbgYm
Name NIRURISIDE;BETA-D-(1-O-ACETYL-3,6-O-TRANS-DICINNAMOYL)-FRUCOFURANOSYL-ALPHA-D-(2,4,6-O-TRIACETYL)-GLUCOPYRANOSYDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O17
InChI InChI=1S/C38H42O17/c1-22(39)47-20-29-34(50-24(3)41)33(46)35(51-25(4)42)37(52-29)55-38(21-49-23(2)40)36(53-31(44)18-16-27-13-9-6-10-14-27)32(45)28(54-38)19-48-30(43)17-15-26-11-7-5-8-12-26/h5-18,28-29,32-37,45-46H,19-21H2,1-4H3/b17-15+,18-16+/t28-,29+,32-,33-,34+,35+,36+,37+,38+/m1/s1
InChIKey KUZYDHCVYKUFKF-LAJYSOTDSA-N
Literature Reference Author J.QIAN-CUTRONE,S.HUANG,J.TRIMBLE,H.LI,P.F.LIN,M.ALAM,S.E.KLO HR,K.F.KADOW
Literature Reference Citation J.NAT.PROD.,59,196(1996)
Literature Reference DOI 10.1021/np9600560
Molecular Weight 770.741 g/mol
Solvent CDCl3
Source File Reference UWVP2622