Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=1xiK996KznX SpectraBase Spectrum ID=LUtGvFFVOdZ
http://spectrabase.com/spectrum/LUtGvFFVOdZ (accessed Oct 17, 2018).

WATTEROSE-D
SpectraBase Compound ID 1xiK996KznX
InChI InChI=1S/C49H58O27/c50-17-28-34(59)37(62)39(64)46(68-28)72-42-41(71-33(58)15-9-22-6-11-25(54)12-7-22)31(20-53)70-48(43(42)73-47-40(65)38(63)35(60)29(18-51)69-47)76-49(21-67-32(57)14-10-23-8-13-26(55)27(56)16-23)44(36(61)30(19-52)75-49)74-45(66)24-4-2-1-3-5-24/h1-16,28-31,34-44,46-48,50-56,59-65H,17-21H2/b14-10+,15-9+/t28-,29-,30+,31-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47+,48-,49-/m1/s1
InChIKey YFXZQHXEPQRGQI-RNYDRCPPSA-N
Mol Weight 1079 g/mol
Molecular Formula C49H58O27
Exact Mass 1078.316547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUtGvFFVOdZ
SpectraBase Batch ID DgD0NIznTkg
Name WATTEROSE-D
Compound Number 4
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H58O27
InChI InChI=1S/C49H58O27/c50-17-28-34(59)37(62)39(64)46(68-28)72-42-41(71-33(58)15-9-22-6-11-25(54)12-7-22)31(20-53)70-48(43(42)73-47-40(65)38(63)35(60)29(18-51)69-47)76-49(21-67-32(57)14-10-23-8-13-26(55)27(56)16-23)44(36(61)30(19-52)75-49)74-45(66)24-4-2-1-3-5-24/h1-16,28-31,34-44,46-48,50-56,59-65H,17-21H2/b14-10+,15-9+/t28-,29-,30+,31-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47+,48-,49-/m1/s1
InChIKey YFXZQHXEPQRGQI-RNYDRCPPSA-N
Literature Reference Author W.KOBAYASHI,T.MIYASE,S.SUZUKI,H.NOGUCHI,X.M.CHEN
Literature Reference Citation J.NAT.PROD.,63,1121(2000)
Literature Reference DOI 10.1021/np000048q
Mol.Weight 1078.983 g/mol
Solvent CD3OD
Source File Reference UWRU7412