| SpectraBase Compound ID | I1oczqzVatF |
|---|---|
| InChI | InChI=1S/C43H68O15/c1-21-37(47)31(50-8)19-36(52-21)57-38-22(2)53-34(18-30(38)46)58-39-23(3)54-35(20-32(39)51-9)56-27-12-13-40(6)26(16-27)10-11-28-29(40)17-33(55-25(5)45)41(7)42(48,24(4)44)14-15-43(28,41)49/h10,21-23,27-39,46-49H,11-20H2,1-9H3/t21-,22+,23-,27+,28-,29?,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,42-,43+/m1/s1 |
| InChIKey | PAABVAWCESRSCC-SUPZUYLRSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C43H68O15 |
| Exact Mass | 824.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KahwOSiysJL |
|---|---|
| Name | 12-O-ACETYLPERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O15 |
| InChI | InChI=1S/C43H68O15/c1-21-37(47)31(50-8)19-36(52-21)57-38-22(2)53-34(18-30(38)46)58-39-23(3)54-35(20-32(39)51-9)56-27-12-13-40(6)26(16-27)10-11-28-29(40)17-33(55-25(5)45)41(7)42(48,24(4)44)14-15-43(28,41)49/h10,21-23,27-39,46-49H,11-20H2,1-9H3/t21-,22+,23-,27+,28-,29?,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,42-,43+/m1/s1 |
| InChIKey | PAABVAWCESRSCC-SUPZUYLRSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 825.004 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU874 |