| SpectraBase Compound ID | 83QCDxPW9lS |
|---|---|
| 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-DQYLVHCXSA-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 | 1iIsCXAyK0z |
|---|---|
| Name | Jujubogenin-3-O.alpha.-L-arabinofuranosyl-(1->2)-[.beta.-D-glucopyranosyl-(1->3).alpha.-L-arabinopyranoside-3'',4'''-di-O-su |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-DQYLVHCXSA-L |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 23, 2597 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |