| SpectraBase Compound ID | ENUep9u4ODq |
|---|---|
| InChI | InChI=1S/C39H64O13/c1-18(2)7-6-8-19(3)29-25(14-24-22-10-9-20-13-21(42)11-12-38(20,4)23(22)15-28(43)39(24,29)5)49-37-34(48)35(31(45)27(17-41)51-37)52-36-33(47)32(46)30(44)26(16-40)50-36/h13,18-19,22-37,40-41,43-48H,6-12,14-17H2,1-5H3/t19-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-/m1/s1 |
| InChIKey | RQMAFIGPECAUTA-SRLTZWDQSA-N |
| Mol Weight | 740.9 g/mol |
| Molecular Formula | C39H64O13 |
| Exact Mass | 740.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwpJzg3T0If |
|---|---|
| Name | PENTANDROSIDE-D;(25S)-12-ALPHA,16-BETA-DIHYDROXY-CHOLEST-4-EN-3-ONE-16-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O13 |
| InChI | InChI=1S/C39H64O13/c1-18(2)7-6-8-19(3)29-25(14-24-22-10-9-20-13-21(42)11-12-38(20,4)23(22)15-28(43)39(24,29)5)49-37-34(48)35(31(45)27(17-41)51-37)52-36-33(47)32(46)30(44)26(16-40)50-36/h13,18-19,22-37,40-41,43-48H,6-12,14-17H2,1-5H3/t19-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-/m1/s1 |
| InChIKey | RQMAFIGPECAUTA-SRLTZWDQSA-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 | 740.929 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30090 |