| SpectraBase Compound ID | 59PeQ6HvrF |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)15-16-48(42(60)67-39-34(57)29(52)23(50)20-62-39)22(17-43)21-9-10-26-45(5)13-12-28(44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51)64-41-37(33(56)32(55)36(65-41)38(59)61-8)66-40-35(58)31(54)30(53)24(19-49)63-40/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22-,23+,24+,25?,26?,27+,28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45?,46?,47?,48+/m0/s1 |
| InChIKey | FNJAUEOREUWPKW-RUKRMQBBSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENGKAQieWHW |
|---|---|
| Name | TRAGOPOGONOSIDE-C-METHYLESTER |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)15-16-48(42(60)67-39-34(57)29(52)23(50)20-62-39)22(17-43)21-9-10-26-45(5)13-12-28(44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51)64-41-37(33(56)32(55)36(65-41)38(59)61-8)66-40-35(58)31(54)30(53)24(19-49)63-40/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22-,23+,24+,25?,26?,27+,28-,29-,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45?,46?,47?,48+/m0/s1 |
| InChIKey | FNJAUEOREUWPKW-RUKRMQBBSA-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 | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6130 |