| SpectraBase Compound ID | 3I43vWJf7TX |
|---|---|
| InChI | InChI=1S/C46H74O23S2/c1-21(2)14-22-15-44(7,53)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,67-22)61-20-45)64-40-36(66-39-32(52)35(26(17-48)63-39)69-71(57,58)59)33(24(49)18-60-40)65-38-31(51)30(50)34(25(16-47)62-38)68-70(54,55)56/h14,22-40,47-53H,8-13,15-20H2,1-7H3,(H,54,55,56)(H,57,58,59)/p-2/t22-,23?,24-,25+,26-,27?,28?,29-,30+,31+,32+,33-,34+,35-,36+,37?,38-,39-,40-,42-,43+,44-,45-,46-/m0/s1 |
| InChIKey | PZXGNYNXDFMDSW-QWRLQDGASA-L |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C46H72O23S2 |
| Exact Mass | 1056.390581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31X8nJG0yVl |
|---|---|
| Name | JUJUBOGENIN-3-O-ALPHA-L-ARABINOFURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE-3'',4'''-DI-O-SULFATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O23S2 |
| InChI | InChI=1S/C46H74O23S2/c1-21(2)14-22-15-44(7,53)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,67-22)61-20-45)64-40-36(66-39-32(52)35(26(17-48)63-39)69-71(57,58)59)33(24(49)18-60-40)65-38-31(51)30(50)34(25(16-47)62-38)68-70(54,55)56/h14,22-40,47-53H,8-13,15-20H2,1-7H3,(H,54,55,56)(H,57,58,59)/p-2/t22-,23?,24-,25+,26-,27?,28?,29-,30+,31+,32+,33-,34+,35-,36+,37?,38-,39-,40-,42-,43+,44-,45-,46-/m0/s1 |
| InChIKey | PZXGNYNXDFMDSW-QWRLQDGASA-L |
| Literature Reference Author | R.HIGUCHI,S.KUBOTA,T.KOMORI,T.KAWASAKI,V.B.PANDEY,J.P.SINGH, A.H.SHAH |
| Literature Reference Citation | PHYTOCHEM.,23,2597(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84106-0 |
| Molecular Weight | 1057.184 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK590 |