| SpectraBase Compound ID | 5UqWrmeYKnC |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-22-31(53)37(63-41-38(34(56)33(55)26(18-48)61-41)64-39-35(57)32(54)25(51)19-59-39)36(58)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | XRNWDZJBEMYAFL-XFTOSVOPSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ff5MsjKvRf0 |
|---|---|
| Name | 2''-O-BETA-D-XYLOPYRANOSYLSAIKOSAPONIN-B2;#1;3-BETA-16-ALPHA-23,28-TETRAHYDROXY-OLEANA-11(12),13(18)-DIENE-3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-22-31(53)37(63-41-38(34(56)33(55)26(18-48)61-41)64-39-35(57)32(54)25(51)19-59-39)36(58)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | XRNWDZJBEMYAFL-XFTOSVOPSA-N |
| Literature Reference Author | S.Q.LUO,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,33,1197(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85049-W |
| Molecular Weight | 913.110 g/mol |
| Solvent | PYRIDINE-D5 |