| SpectraBase Compound ID | DdrnpA9AoiM |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-22-30(50)33(53)36(56)39(60-22)64-41(58)47-16-14-42(2,3)18-24(47)23-8-9-28-43(4)12-11-29(44(5,21-49)27(43)10-13-46(28,7)45(23,6)15-17-47)63-38-35(55)32(52)26(20-59-38)62-40-37(57)34(54)31(51)25(19-48)61-40/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24?,25+,26-,27?,28?,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47?/m0/s1 |
| InChIKey | PXWDSLJKRCHLGI-GSWPNFKXSA-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 | 1tdFhQusVnZ |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1-4)-ALPHA-L-ARABINOPYRANOSYL_HEDERAGENIN_28-O-ALPHA-L-RHAMNOPYRANOSYL_ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-22-30(50)33(53)36(56)39(60-22)64-41(58)47-16-14-42(2,3)18-24(47)23-8-9-28-43(4)12-11-29(44(5,21-49)27(43)10-13-46(28,7)45(23,6)15-17-47)63-38-35(55)32(52)26(20-59-38)62-40-37(57)34(54)31(51)25(19-48)61-40/h8,22,24-40,48-57H,9-21H2,1-7H3/t22-,24?,25+,26-,27?,28?,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47?/m0/s1 |
| InChIKey | PXWDSLJKRCHLGI-GSWPNFKXSA-N |
| Literature Reference Author | Z.DU,N.ZHU,N.ZE-REN-WANG-MU,Y.SHEN |
| Literature Reference Citation | PLANTA.MED.,69,542(2003) |
| Literature Reference DOI | 10.1055/s-2003-40637 |
| Molecular Weight | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1961 |