| SpectraBase Compound ID | Fkdkf0hN5km |
|---|---|
| InChI | InChI=1S/C38H62O14/c1-17(14-39)5-8-23(42)18(2)28-26(12-22-21-7-6-19-11-20(41)9-10-37(19,3)29(21)24(43)13-38(22,28)4)50-35-33(48)34(25(44)16-49-35)52-36-32(47)31(46)30(45)27(15-40)51-36/h11,17-18,21-36,39-40,42-48H,5-10,12-16H2,1-4H3/t17-,18-,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | IOPZVHATZOARDL-MEYAMMCJSA-N |
| Mol Weight | 742.9 g/mol |
| Molecular Formula | C38H62O14 |
| Exact Mass | 742.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wqS0x1DimQ |
|---|---|
| Name | PENTANDROSIDE-C;(22S,25S)-11-ALPHA,16-BETA,22,26-TETRAHYDROXY-CHOLEST-4-EN-3-ONE-16-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O14 |
| InChI | InChI=1S/C38H62O14/c1-17(14-39)5-8-23(42)18(2)28-26(12-22-21-7-6-19-11-20(41)9-10-37(19,3)29(21)24(43)13-38(22,28)4)50-35-33(48)34(25(44)16-49-35)52-36-32(47)31(46)30(45)27(15-40)51-36/h11,17-18,21-36,39-40,42-48H,5-10,12-16H2,1-4H3/t17-,18-,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | IOPZVHATZOARDL-MEYAMMCJSA-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 | 742.902 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30089 |