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EDGEWOROSIDE-B

View entire compound with spectra: 2 NMR

EDGEWOROSIDE-B
SpectraBase Compound ID 4KTuzEEMwBW
InChI InChI=1S/C32H22O13/c33-13-32(39)14-40-31(29(32)37)43-20-8-3-16-5-10-24(36)44-27(16)26(20)25-19(34)7-2-17-11-22(30(38)45-28(17)25)41-18-6-1-15-4-9-23(35)42-21(15)12-18/h1-12,29,31,33-34,37,39H,13-14H2/t29-,31-,32+/m0/s1
InChIKey RWKYICRZKBNXQX-RUHGTMQNSA-N
Mol Weight 614.5 g/mol
Molecular Formula C32H22O13
Exact Mass 614.106041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDDGT2TG722
Name EDGEWOROSIDE_B;3-(7-COUMARINYLOXY)-8-(7-HYDROXYCOUMARIN-8-YL)-7-BETA-D-APIOFRANOSYLOXYCOUMARIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H22O13
InChI InChI=1S/C32H22O13/c33-13-32(39)14-40-31(29(32)37)43-20-8-3-16-5-10-24(36)44-27(16)26(20)25-19(34)7-2-17-11-22(30(38)45-28(17)25)41-18-6-1-15-4-9-23(35)42-21(15)12-18/h1-12,29,31,33-34,37,39H,13-14H2/t29-,31-,32+/m0/s1
InChIKey RWKYICRZKBNXQX-RUHGTMQNSA-N
Literature Reference Author K.BABA,M.TANIGUTI,Y.YONEDA,M.KOZAWA
Literature Reference Citation PHYTOCHEM.,29,247(1990)
Literature Reference DOI 10.1016/0031-9422(90)89043-9
Molecular Weight 614.519 g/mol
Solvent DMSO-D6
Source File Reference UWMZ25552