| SpectraBase Compound ID | 6sbguhMgQ4m |
|---|---|
| InChI | InChI=1S/C38H62O13/c1-18(15-39)5-8-25(42)19(2)29-27(14-24-22-7-6-20-13-21(41)9-11-37(20,3)23(22)10-12-38(24,29)4)49-35-33(47)34(26(43)17-48-35)51-36-32(46)31(45)30(44)28(16-40)50-36/h13,18-19,22-36,39-40,42-47H,5-12,14-17H2,1-4H3/t18-,19-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33-,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | JFQBYJFVCCPBCG-GYJHNTGOSA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C38H62O13 |
| Exact Mass | 726.419042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XJa7WvtOFw |
|---|---|
| Name | PENTANDROSIDE-A;(22S,25S)-16-BETA,22,26-TRIHYDROXY-CHOLEST-4-EN-3-ONE-16-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O13 |
| InChI | InChI=1S/C38H62O13/c1-18(15-39)5-8-25(42)19(2)29-27(14-24-22-7-6-20-13-21(41)9-11-37(20,3)23(22)10-12-38(24,29)4)49-35-33(47)34(26(43)17-48-35)51-36-32(46)31(45)30(44)28(16-40)50-36/h13,18-19,22-36,39-40,42-47H,5-12,14-17H2,1-4H3/t18-,19-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33-,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | JFQBYJFVCCPBCG-GYJHNTGOSA-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 | 726.902 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30087 |