| SpectraBase Compound ID | 9cWg8drQ6lr |
|---|---|
| InChI | InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-50-46(39(64)31(61)26-74-50)77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)29(23-53)28-12-14-35-55(5)18-17-37(54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62)76-51-47(43(68)42(67)45(78-51)48(70)73-9)79-49-44(69)41(66)40(65)33(25-59)75-49/h10-13,15,22,29,31,33-37,39-47,49-51,59-62,64-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29-,31+,33+,34?,35?,36+,37-,39-,40-,41-,42-,43-,44+,45-,46+,47+,49-,50-,51+,55?,56?,57?,58+/m0/s1 |
| InChIKey | JJKQRNTVXYJWHQ-QGTONHFDSA-N |
| Mol Weight | 1133.3 g/mol |
| Molecular Formula | C58H84O22 |
| Exact Mass | 1132.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GC2s1jKViOM |
|---|---|
| Name | TRAGOPOGONOSIDE-H-METHYLESTER |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H84O22 |
| InChI | InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-50-46(39(64)31(61)26-74-50)77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)29(23-53)28-12-14-35-55(5)18-17-37(54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62)76-51-47(43(68)42(67)45(78-51)48(70)73-9)79-49-44(69)41(66)40(65)33(25-59)75-49/h10-13,15,22,29,31,33-37,39-47,49-51,59-62,64-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29-,31+,33+,34?,35?,36+,37-,39-,40-,41-,42-,43-,44+,45-,46+,47+,49-,50-,51+,55?,56?,57?,58+/m0/s1 |
| InChIKey | JJKQRNTVXYJWHQ-QGTONHFDSA-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 | 1133.292 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6135 |