![POLYSCIOSIDE-B;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID](/api/spectrum/IJSLDpTReH2/structure.png?h=300&w=458 "POLYSCIOSIDE-B;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID")
| SpectraBase Compound ID | DVBXpTMVXje |
|---|---|
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-38-31(53)28(50)23(49)20-60-38)33(55)34(36(65-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22?,23-,24+,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,38+,39-,40-,44+,45-,46-,47+/m1/s1 |
| InChIKey | PHLOQZUXCSJYTO-FNMKQMEZSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C47H74O18 |
| Exact Mass | 926.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJSLDpTReH2 |
|---|---|
| Name | POLYSCIOSIDE-B;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O18 |
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-38-31(53)28(50)23(49)20-60-38)33(55)34(36(65-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22?,23-,24+,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,36+,38+,39-,40-,44+,45-,46-,47+/m1/s1 |
| InChIKey | PHLOQZUXCSJYTO-FNMKQMEZSA-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 | 927.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS188 |