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#2;BAECKEIN-D;(1AS,7AS)-4,6-DIHYDROXY-1A-3(HYDROXY-4-[(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-PHENYL]-7A-(2-HYDROX

View entire compound with spectra: 1 NMR

#2;BAECKEIN-D;(1AS,7AS)-4,6-DIHYDROXY-1A-3(HYDROXY-4-[(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-PHENYL]-7A-(2-HYDROX
SpectraBase Compound ID eZeveYBDB9
InChI InChI=1S/C38H32O19/c1-12-16(40)9-22-25(27(12)44)30(47)32(49)34(52-22)14-3-5-21(18(42)7-14)55-38-35(51)26-23(10-17(41)13(2)28(26)45)56-37(38,57-38)15-4-6-20(19(43)8-15)53-36-33(50)31(48)29(46)24(11-39)54-36/h3-10,24,29,31,33,36,39-46,48-50H,11H2,1-2H3/t24-,29-,31+,33-,36-,37+,38+/m0/s1
InChIKey WRPZAIZVIDRYAO-WCBUICAWSA-N
Mol Weight 792.7 g/mol
Molecular Formula C38H32O19
Exact Mass 792.153779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61aIvHH4H41
Name #2;BAECKEIN-D;(1AS,7AS)-4,6-DIHYDROXY-1A-3(HYDROXY-4-[(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-PHENYL]-7A-(2-HYDROX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H32O19
InChI InChI=1S/C38H32O19/c1-12-16(40)9-22-25(27(12)44)30(47)32(49)34(52-22)14-3-5-21(18(42)7-14)55-38-35(51)26-23(10-17(41)13(2)28(26)45)56-37(38,57-38)15-4-6-20(19(43)8-15)53-36-33(50)31(48)29(46)24(11-39)54-36/h3-10,24,29,31,33,36,39-46,48-50H,11H2,1-2H3/t24-,29-,31+,33-,36-,37+,38+/m0/s1
InChIKey WRPZAIZVIDRYAO-WCBUICAWSA-N
Literature Reference Author B.X.JIA,Y.X.ZHOU,X.Q.CHEN,X.B.WANG,J.YANG,M.X.LAI,Q.WANG
Literature Reference Citation MAGN.RES.CHEM.,49,757(2011)
Literature Reference DOI 10.1002/mrc.2803
Molecular Weight 792.661 g/mol
Solvent DMSO-D6
Source File Reference UWBT13132