John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Kc72oX7C9W2 SpectraBase Spectrum ID=29vbFu4nP3H

(accessed ).
MAESASAPONIN-VII(1);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYR
SpectraBase Compound ID Kc72oX7C9W2
InChI InChI=1S/C66H102O29/c1-14-26(3)53(81)93-50-51(94-54(82)27(4)15-2)66-34(22-60(50,7)8)65(95-59(66)83)21-17-33-62(11)19-18-35(61(9,10)32(62)16-20-63(33,12)64(65,13)23-36(66)85-29(6)69)88-58-49(92-56-44(77)41(74)38(71)30(24-67)86-56)46(45(78)47(90-58)52(79)80)89-57-48(42(75)39(72)31(25-68)87-57)91-55-43(76)40(73)37(70)28(5)84-55/h14-15,28,30-51,55-59,67-68,70-78,83H,16-25H2,1-13H3,(H,79,80)/b26-14-,27-15-/t28-,30-,31+,32?,33?,34?,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50-,51-,55-,56+,57-,58+,59+,62-,63+,64-,65-,66+/m0/s1
InChIKey YRYSQLOILWGFEQ-LGYBPWDTSA-N
Mol Weight 1359.5 g/mol
Molecular Formula C66H102O29
Exact Mass 1358.650678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29vbFu4nP3H
Name MAESASAPONIN-VII(1);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYR
Compound Number 10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H102O29
InChI InChI=1S/C66H102O29/c1-14-26(3)53(81)93-50-51(94-54(82)27(4)15-2)66-34(22-60(50,7)8)65(95-59(66)83)21-17-33-62(11)19-18-35(61(9,10)32(62)16-20-63(33,12)64(65,13)23-36(66)85-29(6)69)88-58-49(92-56-44(77)41(74)38(71)30(24-67)86-56)46(45(78)47(90-58)52(79)80)89-57-48(42(75)39(72)31(25-68)87-57)91-55-43(76)40(73)37(70)28(5)84-55/h14-15,28,30-51,55-59,67-68,70-78,83H,16-25H2,1-13H3,(H,79,80)/b26-14-,27-15-/t28-,30-,31+,32?,33?,34?,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50-,51-,55-,56+,57-,58+,59+,62-,63+,64-,65-,66+/m0/s1
InChIKey YRYSQLOILWGFEQ-LGYBPWDTSA-N
Literature Reference Author S.APERS,T.E.D.BRUYNE,M.CLAEYS,A.J.VLIETINCK,L.A.C.PIETERS
Literature Reference Citation PHYTOCHEM.,52,1121(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00352-0
Molecular Weight 1359.518 g/mol
Solvent DMSO-D6
Source File Reference UWVN374
SpectraBase Batch ID 3loxABj5xM2