![POLYSCIOSIDE-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID](/api/spectrum/IG7SgF4mBdQ/structure.png?h=300&w=458 "POLYSCIOSIDE-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID")
| SpectraBase Compound ID | E6lyI3JQsuY |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-36(66-40-33(56)31(54)29(52)24(20-50)63-40)34(57)35(37(67-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24-,25?,26?,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37-,39+,40+,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | DILGJEPARGIKIX-RSGBYQDUSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IG7SgF4mBdQ |
|---|---|
| Name | POLYSCIOSIDE-A;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-36(66-40-33(56)31(54)29(52)24(20-50)63-40)34(57)35(37(67-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24-,25?,26?,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37-,39+,40+,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | DILGJEPARGIKIX-RSGBYQDUSA-N |
| Literature Reference Author | V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU |
| Literature Reference Citation | PHYTOCHEM.,47,451(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00618-3 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS186 |