| SpectraBase Compound ID | 8sxHn596LRW |
|---|---|
| InChI | InChI=1S/C45H52O23/c1-57-25-13-22(14-26(58-2)36(25)51)7-10-33(48)63-20-32-39(54)40(55)41(56)44(64-32)68-45(21-47)43(66-35(50)12-9-24-17-29(61-5)38(53)30(18-24)62-6)42(31(19-46)67-45)65-34(49)11-8-23-15-27(59-3)37(52)28(16-23)60-4/h7-18,31-32,39-44,46-47,51-56H,19-21H2,1-6H3/b10-7+,11-8+,12-9+/t31-,32+,39+,40-,41+,42-,43+,44+,45+/m1/s1 |
| InChIKey | PDIAXHCFRUNKBX-HBNOEPGTSA-N |
| Mol Weight | 960.9 g/mol |
| Molecular Formula | C45H52O23 |
| Exact Mass | 960.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UoRcqtbUnP |
|---|---|
| Name | BETA-D-(3,4-DISINAPOYL)-FRUCTOFURANOSYL-ALPHA-D-(6-SINAPOYL)-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H52O23 |
| InChI | InChI=1S/C45H52O23/c1-57-25-13-22(14-26(58-2)36(25)51)7-10-33(48)63-20-32-39(54)40(55)41(56)44(64-32)68-45(21-47)43(66-35(50)12-9-24-17-29(61-5)38(53)30(18-24)62-6)42(31(19-46)67-45)65-34(49)11-8-23-15-27(59-3)37(52)28(16-23)60-4/h7-18,31-32,39-44,46-47,51-56H,19-21H2,1-6H3/b10-7+,11-8+,12-9+/t31-,32+,39+,40-,41+,42-,43+,44+,45+/m1/s1 |
| InChIKey | PDIAXHCFRUNKBX-HBNOEPGTSA-N |
| Literature Reference Author | N.DETOMMASI,S.PIACENTE,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,56,134(1993) |
| Literature Reference DOI | 10.1021/np50091a020 |
| Molecular Weight | 960.894 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS1042 |