John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EqijYJ7ftxl SpectraBase Spectrum ID=8L7oi9W5K4h

(accessed ).
FLORALQUINQUENOSIDE-D
SpectraBase Compound ID EqijYJ7ftxl
InChI InChI=1S/C42H72O15/c1-20(2)23(57-52)10-16-42(8,56-37-35(51)33(49)31(47)25(19-44)54-37)21-9-14-41(7)29(21)22(45)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(50)32(48)30(46)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22+,23?,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
InChIKey YQUSSKADRHYVPT-QTYVTQAZSA-N
Mol Weight 817.0 g/mol
Molecular Formula C42H72O15
Exact Mass 816.487122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8L7oi9W5K4h
Name FLORALQUINQUENOSIDE-D
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H72O15
InChI InChI=1S/C42H72O15/c1-20(2)23(57-52)10-16-42(8,56-37-35(51)33(49)31(47)25(19-44)54-37)21-9-14-41(7)29(21)22(45)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(50)32(48)30(46)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22+,23?,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
InChIKey YQUSSKADRHYVPT-QTYVTQAZSA-N
Literature Reference Author S.NAKAMURA,S.SUGIMOTO,H.MATSUDA,M.YOSHIKAWA
Literature Reference Citation CHEM.PHARM.BULL.,55,1342(2007)
Literature Reference DOI 10.1248/cpb.55.1342
Molecular Weight 817.025 g/mol
Sample ID 56181
Solvent CDCl3
SpectraBase Batch ID 8PwptZFePda