![TUBEROSIDE-B;3-O-BETA-[XYLOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/FfeGYHYmX42/structure.png?h=300&w=458 "TUBEROSIDE-B;3-O-BETA-[XYLOPYRANOSYL-(1->2)-[GLUCOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 7TmiFynHx3l |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-43-35(62)30(57)24(56)21-69-43)38(65)39(41(75-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,50+,51-,52-,53+/m1/s1 |
| InChIKey | BQZGQZMBLHLJIO-AQQJYCQQSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfeGYHYmX42 |
|---|---|
| Name | POLYSCIOSIDE-E;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANO |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-40(74-43-35(62)30(57)24(56)21-69-43)38(65)39(41(75-46)42(66)67)73-44-36(63)33(60)31(58)25(19-54)70-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,40-,41+,43+,44-,45+,46-,50+,51-,52-,53+/m1/s1 |
| InChIKey | BQZGQZMBLHLJIO-AQQJYCQQSA-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 | 1089.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS194 |