![POLYSCIOSIDE-A-DIMETHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-METH](/api/spectrum/FgsPuiiWDlh/structure.png?h=300&w=458 "POLYSCIOSIDE-A-DIMETHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-METH")
| SpectraBase Compound ID | F3uV6VAekGV |
|---|---|
| InChI | InChI=1S/C50H80O19/c1-45(2)16-18-50(44(61)63-9)19-17-48(6)23(24(50)20-45)10-11-28-47(5)14-13-29(46(3,4)27(47)12-15-49(28,48)7)66-43-38(68-42-35(58)33(56)31(54)26(22-52)65-42)36(59)37(39(69-43)40(60)62-8)67-41-34(57)32(55)30(53)25(21-51)64-41/h10,24-39,41-43,51-59H,11-22H2,1-9H3/t24?,25-,26-,27?,28?,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,41+,42+,43+,47-,48+,49+,50-/m0/s1 |
| InChIKey | XDRMGELURPFSHO-GVDSQCDDSA-N |
| Mol Weight | 985.2 g/mol |
| Molecular Formula | C50H80O19 |
| Exact Mass | 984.52938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgsPuiiWDlh |
|---|---|
| Name | POLYSCIOSIDE-A-DIMETHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-METH |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O19 |
| InChI | InChI=1S/C50H80O19/c1-45(2)16-18-50(44(61)63-9)19-17-48(6)23(24(50)20-45)10-11-28-47(5)14-13-29(46(3,4)27(47)12-15-49(28,48)7)66-43-38(68-42-35(58)33(56)31(54)26(22-52)65-42)36(59)37(39(69-43)40(60)62-8)67-41-34(57)32(55)30(53)25(21-51)64-41/h10,24-39,41-43,51-59H,11-22H2,1-9H3/t24?,25-,26-,27?,28?,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,41+,42+,43+,47-,48+,49+,50-/m0/s1 |
| InChIKey | XDRMGELURPFSHO-GVDSQCDDSA-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 | 985.174 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS187 |