| SpectraBase Compound ID | HDiZ4aNCGZR |
|---|---|
| InChI | InChI=1S/C39H48O21/c1-18(40)50-16-39(60-24(7)46)17-51-37(35(39)56-23(6)45)49-15-29-32(53-20(3)42)33(54-21(4)43)34(55-22(5)44)36(59-29)58-28-14-27-25(10-11-31(47)57-27)12-26(28)13-30(38(8,9)48)52-19(2)41/h10-12,14,29-30,32-37,48H,13,15-17H2,1-9H3/t29-,30-,32-,33+,34-,35-,36-,37+,39+/m1/s1 |
| InChIKey | FROUWCYYMSZEBO-BOWHPTGNSA-N |
| Mol Weight | 852.8 g/mol |
| Molecular Formula | C39H48O21 |
| Exact Mass | 852.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 827Mh3nDAHp |
|---|---|
| Name | PEUJAPONISIDE-HEPTAACETATE;(R)-PEUCEDANOL-7-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE-HEPTAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O21 |
| InChI | InChI=1S/C39H48O21/c1-18(40)50-16-39(60-24(7)46)17-51-37(35(39)56-23(6)45)49-15-29-32(53-20(3)42)33(54-21(4)43)34(55-22(5)44)36(59-29)58-28-14-27-25(10-11-31(47)57-27)12-26(28)13-30(38(8,9)48)52-19(2)41/h10-12,14,29-30,32-37,48H,13,15-17H2,1-9H3/t29-,30-,32-,33+,34-,35-,36-,37+,39+/m1/s1 |
| InChIKey | FROUWCYYMSZEBO-BOWHPTGNSA-N |
| Literature Reference Author | Y.IKESHIRO,I.MASE,Y.TOMITA |
| Literature Reference Citation | PHYTOCHEM.,35,1339(1994) |
| Literature Reference DOI | 10.1016/s0031-9422(06)80121-4 |
| Molecular Weight | 852.798 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24574 |