| SpectraBase Compound ID | CTPyCIqLb4B |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-21-29(52)31(54)34(57)40(61-21)65-37-32(55)30(53)24(19-49)62-42(37)64-36-33(56)35(58)41(66-38(36)39(59)60)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23?,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38+,40+,41-,42-,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | RFAWQHFQFXXRQB-XXJWEHNZSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlHaYGxWPMm |
|---|---|
| Name | 3-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL)-SOYASAPOGENOL-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-21-29(52)31(54)34(57)40(61-21)65-37-32(55)30(53)24(19-49)62-42(37)64-36-33(56)35(58)41(66-38(36)39(59)60)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23?,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38+,40+,41-,42-,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | RFAWQHFQFXXRQB-XXJWEHNZSA-N |
| Literature Reference Author | R.-Q.SUN,Z.-J.JIA,D.-L.CHENG,Z.-Q.ZHU |
| Literature Reference Citation | PLANTA.MED.,58,211(1992) |
| Literature Reference DOI | 10.1055/s-2006-961432 |
| Molecular Weight | 943.137 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP310 |