John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2CwRa3Oy5Ay SpectraBase Spectrum ID=1ITnHfO74bg

(accessed ).
3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-22-O-BETA-D-GLUCOPYRANOSYL-SOYASAPOGENOL-B
SpectraBase Compound ID 2CwRa3Oy5Ay
InChI InChI=1S/C54H88O23/c1-22-31(58)34(61)39(66)45(70-22)76-42-36(63)33(60)26(20-56)72-47(42)77-43-38(65)37(64)41(44(68)69)75-48(43)73-29-12-13-51(5)27(52(29,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-30(50(24,4)15-16-53(23,54)7)74-46-40(67)35(62)32(59)25(19-55)71-46/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24?,25-,26+,27?,28?,29?,30?,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42+,43+,45-,46+,47-,48+,50?,51?,52?,53?,54?/m0/s1
InChIKey VQTMNYUOKHAJED-PSSXFBMRSA-N
Mol Weight 1105.3 g/mol
Molecular Formula C54H88O23
Exact Mass 1104.57164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ITnHfO74bg
Name 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-22-O-BETA-D-GLUCOPYRANOSYL-SOYASAPOGENOL-B
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O23
InChI InChI=1S/C54H88O23/c1-22-31(58)34(61)39(66)45(70-22)76-42-36(63)33(60)26(20-56)72-47(42)77-43-38(65)37(64)41(44(68)69)75-48(43)73-29-12-13-51(5)27(52(29,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-30(50(24,4)15-16-53(23,54)7)74-46-40(67)35(62)32(59)25(19-55)71-46/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24?,25-,26+,27?,28?,29?,30?,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42+,43+,45-,46+,47-,48+,50?,51?,52?,53?,54?/m0/s1
InChIKey VQTMNYUOKHAJED-PSSXFBMRSA-N
Literature Reference Author A.M.SIMONET,A.STOCHMAL,W.OLESZEK,F.A.MACIAS
Literature Reference Citation PHYTOCHEM.,51,1065(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00192-2
Molecular Weight 1105.279 g/mol
Solvent C5D5N
Source File Reference UWVN11022
SpectraBase Batch ID 5QSEsehmTgw