| SpectraBase Compound ID | L2EssqBFbI3 |
|---|---|
| InChI | InChI=1S/C57H82O21/c1-52(2)21-22-57(51(70)78-49-45(38(63)31(60)26-72-49)75-37(62)16-11-27-9-12-28(59)13-10-27)30(23-52)29-14-15-34-54(5)19-18-36(53(3,4)33(54)17-20-55(34,6)56(29,7)24-35(57)61)74-50-46(42(67)41(66)44(76-50)47(69)71-8)77-48-43(68)40(65)39(64)32(25-58)73-48/h9-14,16,30-36,38-46,48-50,58-61,63-68H,15,17-26H2,1-8H3/b16-11+/t30-,31+,32+,33?,34?,35+,36-,38-,39-,40-,41-,42-,43+,44-,45+,46+,48-,49-,50+,54?,55?,56?,57+/m0/s1 |
| InChIKey | BCBSFBSGZZERMG-QXRWDLPGSA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C57H82O21 |
| Exact Mass | 1102.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFAG4g9aHTu |
|---|---|
| Name | TRAGOPOGONOSIDE-G-METHYLESTER |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H82O21 |
| InChI | InChI=1S/C57H82O21/c1-52(2)21-22-57(51(70)78-49-45(38(63)31(60)26-72-49)75-37(62)16-11-27-9-12-28(59)13-10-27)30(23-52)29-14-15-34-54(5)19-18-36(53(3,4)33(54)17-20-55(34,6)56(29,7)24-35(57)61)74-50-46(42(67)41(66)44(76-50)47(69)71-8)77-48-43(68)40(65)39(64)32(25-58)73-48/h9-14,16,30-36,38-46,48-50,58-61,63-68H,15,17-26H2,1-8H3/b16-11+/t30-,31+,32+,33?,34?,35+,36-,38-,39-,40-,41-,42-,43+,44-,45+,46+,48-,49-,50+,54?,55?,56?,57+/m0/s1 |
| InChIKey | BCBSFBSGZZERMG-QXRWDLPGSA-N |
| Literature Reference Author | T.MIYASE,H.KOHSAKA,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,31,2087(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80368-O |
| Molecular Weight | 1103.265 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6134 |