| SpectraBase Compound ID | AyItWSaX1q6 |
|---|---|
| InChI | InChI=1S/C57H92O22/c1-27-48(61)37(65-10)22-44(69-27)77-50-30(4)72-46(24-39(50)67-12)79-52-31(5)73-47(25-40(52)68-13)78-51-29(3)71-45(23-38(51)66-11)76-49-28(2)70-43(21-36(49)60)75-35-15-16-53(8)34(20-35)14-17-56(63)41(53)26-42(74-33(7)59)54(9)55(62,32(6)58)18-19-57(54,56)64/h14,27-31,35-52,60-64H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37+,38+,39+,40+,41?,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | UBUBJMPMMJZVRN-FRPQCLCVSA-N |
| Mol Weight | 1129.3 g/mol |
| Molecular Formula | C57H92O22 |
| Exact Mass | 1128.608025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCrojjbOjE5 |
|---|---|
| Name | METAPLEXIGENIN-3-O-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-BETA-DI |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O22 |
| InChI | InChI=1S/C57H92O22/c1-27-48(61)37(65-10)22-44(69-27)77-50-30(4)72-46(24-39(50)67-12)79-52-31(5)73-47(25-40(52)68-13)78-51-29(3)71-45(23-38(51)66-11)76-49-28(2)70-43(21-36(49)60)75-35-15-16-53(8)34(20-35)14-17-56(63)41(53)26-42(74-33(7)59)54(9)55(62,32(6)58)18-19-57(54,56)64/h14,27-31,35-52,60-64H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37+,38+,39+,40+,41?,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | UBUBJMPMMJZVRN-FRPQCLCVSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 1129.344 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU880 |