| SpectraBase Compound ID | 6wcN4ypNVjU |
|---|---|
| InChI | InChI=1S/C61H68O31/c1-29(62)79-27-46-54(84-33(5)66)56(86-35(7)68)58(90-48(70)18-15-37-21-40(73-9)51(81-30(2)63)41(22-37)74-10)60(88-46)80-28-47-55(85-34(6)67)57(87-36(8)69)59(91-49(71)19-16-38-23-42(75-11)52(82-31(3)64)43(24-38)76-12)61(89-47)92-50(72)20-17-39-25-44(77-13)53(83-32(4)65)45(26-39)78-14/h15-26,46-47,54-61H,27-28H2,1-14H3/b18-15+,19-16+,20-17+/t46-,47+,54-,55+,56+,57-,58-,59+,60-,61-/m0/s1 |
| InChIKey | IEWIZZOYVFRXOM-NHPODYPOSA-N |
| Mol Weight | 1297.2 g/mol |
| Molecular Formula | C61H68O31 |
| Exact Mass | 1296.374455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HikUxZvMLRD |
|---|---|
| Name | 6-O-BETA-D-(2'-O-SINAPOYL)-GLUCOPYRANOSYL-BETA-D-(1,2-O-DISINAPOYL)-GLUCOPYRANOSIDE-PERACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H68O31 |
| InChI | InChI=1S/C61H68O31/c1-29(62)79-27-46-54(84-33(5)66)56(86-35(7)68)58(90-48(70)18-15-37-21-40(73-9)51(81-30(2)63)41(22-37)74-10)60(88-46)80-28-47-55(85-34(6)67)57(87-36(8)69)59(91-49(71)19-16-38-23-42(75-11)52(82-31(3)64)43(24-38)76-12)61(89-47)92-50(72)20-17-39-25-44(77-13)53(83-32(4)65)45(26-39)78-14/h15-26,46-47,54-61H,27-28H2,1-14H3/b18-15+,19-16+,20-17+/t46-,47+,54-,55+,56+,57-,58-,59+,60-,61-/m0/s1 |
| InChIKey | IEWIZZOYVFRXOM-NHPODYPOSA-N |
| Literature Reference Author | A.SAKUSHIMA,M.COSKUN,M.TANKER,N.TANKER |
| Literature Reference Citation | PHYTOCHEM.,35,1481(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86880-6 |
| Molecular Weight | 1297.192 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU25240 |