| SpectraBase Compound ID | F6qO9La3qWK |
|---|---|
| InChI | InChI=1S/C46H52O18/c1-19-12-32(52)38-29(16-56-23(5)47)11-10-28(14-31(19)38)21(3)44(54)62-34-13-20(2)36-33(53)15-30(39(36)41-37(34)22(4)45(55)64-41)17-58-46-43(61-27(9)51)42(60-26(8)50)40(59-25(7)49)35(63-46)18-57-24(6)48/h12,15,28,31,34-35,37,39-43,46H,3-4,10-11,13-14,16-18H2,1-2,5-9H3/t28-,31+,34+,35+,37-,39+,40+,41+,42-,43+,46+/m1/s1 |
| InChIKey | ORABTQDSHOSYMF-GCIKUTNZSA-N |
| Mol Weight | 892.9 g/mol |
| Molecular Formula | C46H52O18 |
| Exact Mass | 892.315365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGu9cmxAPy1 |
|---|---|
| Name | PICRIOSIDE_A_PENTAACETATE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H52O18 |
| InChI | InChI=1S/C46H52O18/c1-19-12-32(52)38-29(16-56-23(5)47)11-10-28(14-31(19)38)21(3)44(54)62-34-13-20(2)36-33(53)15-30(39(36)41-37(34)22(4)45(55)64-41)17-58-46-43(61-27(9)51)42(60-26(8)50)40(59-25(7)49)35(63-46)18-57-24(6)48/h12,15,28,31,34-35,37,39-43,46H,3-4,10-11,13-14,16-18H2,1-2,5-9H3/t28-,31+,34+,35+,37-,39+,40+,41+,42-,43+,46+/m1/s1 |
| InChIKey | ORABTQDSHOSYMF-GCIKUTNZSA-N |
| Literature Reference Author | T.UCHIYAMA,K.NISHIMURA,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,29,2947(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87112-8 |
| Molecular Weight | 892.908 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17762 |