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CALABRICOSIDE-B;QUERCETIN-3-O-[4'''-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

CALABRICOSIDE-B;QUERCETIN-3-O-[4'''-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 29Bs1PpP1Gs
InChI InChI=1S/C41H44O23/c1-14-35(62-26(49)7-3-15-2-5-18(43)20(45)8-15)32(54)34(56)39(58-14)64-38-28(50)23(48)13-57-41(38)63-37-30(52)27-22(47)10-17(59-40-33(55)31(53)29(51)25(12-42)61-40)11-24(27)60-36(37)16-4-6-19(44)21(46)9-16/h2-11,14,23,25,28-29,31-35,38-48,50-51,53-56H,12-13H2,1H3/b7-3+/t14-,23+,25-,28+,29-,31+,32-,33-,34+,35-,38-,39-,40-,41+/m1/s1
InChIKey BHZKXYVGAILXRA-DKMSUQCDSA-N
Mol Weight 904.8 g/mol
Molecular Formula C41H44O23
Exact Mass 904.227338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkZeRYJRjWr
Name CALABRICOSIDE-B;QUERCETIN-3-O-[4'''-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-7-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44O23
InChI InChI=1S/C41H44O23/c1-14-35(62-26(49)7-3-15-2-5-18(43)20(45)8-15)32(54)34(56)39(58-14)64-38-28(50)23(48)13-57-41(38)63-37-30(52)27-22(47)10-17(59-40-33(55)31(53)29(51)25(12-42)61-40)11-24(27)60-36(37)16-4-6-19(44)21(46)9-16/h2-11,14,23,25,28-29,31-35,38-48,50-51,53-56H,12-13H2,1H3/b7-3+/t14-,23+,25-,28+,29-,31+,32-,33-,34+,35-,38-,39-,40-,41+/m1/s1
InChIKey BHZKXYVGAILXRA-DKMSUQCDSA-N
Literature Reference Author I.CALIS,J.HEILMANN,D.TASDEMIR,A.LINDEN,C.M.IRELAND,O.STICHER
Literature Reference Citation J.NAT.PROD.,64,961(2001)
Literature Reference DOI 10.1021/np000614h
Molecular Weight 904.787 g/mol
Solvent CD3OD
Source File Reference UWSI1678