| SpectraBase Compound ID | 3ZkP8ehyRTe |
|---|---|
| InChI | InChI=1S/C44H76O18/c1-19(15-45)5-8-26(48)20(2)31-28(59-40-36(54)32(50)27(49)18-57-40)14-25-23-7-6-21-13-22(9-11-43(21,3)24(23)10-12-44(25,31)4)58-41-38(56)35(53)39(30(17-47)61-41)62-42-37(55)34(52)33(51)29(16-46)60-42/h19-42,45-56H,5-18H2,1-4H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+/m1/s1 |
| InChIKey | IJSCAEVQJBYXQY-NBWTVUFGSA-N |
| Mol Weight | 893.1 g/mol |
| Molecular Formula | C44H76O18 |
| Exact Mass | 892.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzhrT5Dn48M |
|---|---|
| Name | PENTANDROSIDE-E;(22S,25S)-16-O-BETA-D-XYLOPYRANOSYL-5-ALPHA-CHOLESTAN-3-BETA,16-BETA,22,26-TETRAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOP |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76O18 |
| InChI | InChI=1S/C44H76O18/c1-19(15-45)5-8-26(48)20(2)31-28(59-40-36(54)32(50)27(49)18-57-40)14-25-23-7-6-21-13-22(9-11-43(21,3)24(23)10-12-44(25,31)4)58-41-38(56)35(53)39(30(17-47)61-41)62-42-37(55)34(52)33(51)29(16-46)60-42/h19-42,45-56H,5-18H2,1-4H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+/m1/s1 |
| InChIKey | IJSCAEVQJBYXQY-NBWTVUFGSA-N |
| Literature Reference Author | A.I.HAMED,W.OLESZEK,A.STOCHMAL,C.PIZZA,S.PIACENTE |
| Literature Reference Citation | PHYTOCHEM.,65,2935(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.07.003 |
| Molecular Weight | 893.077 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30091 |