| SpectraBase Compound ID | 1gWcHE4SuKY |
|---|---|
| InChI | InChI=1S/C45H74O18/c1-19(17-57-40-37(54)36(53)34(51)29(16-46)60-40)9-12-45(56-6)20(2)31-28(63-45)15-26-24-8-7-22-13-23(47)14-30(44(22,5)25(24)10-11-43(26,31)4)61-42-39(33(50)27(48)18-58-42)62-41-38(55)35(52)32(49)21(3)59-41/h7,19-21,23-42,46-55H,8-18H2,1-6H3/t19?,20-,21+,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | RMBBSCRRUXXNCM-YRWKIFBRSA-N |
| Mol Weight | 903.1 g/mol |
| Molecular Formula | C45H74O18 |
| Exact Mass | 902.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6zaJpAA6Wg |
|---|---|
| Name | ALLIOFUROSIDE |
| Compound Number | 112 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O18 |
| InChI | InChI=1S/C45H74O18/c1-19(17-57-40-37(54)36(53)34(51)29(16-46)60-40)9-12-45(56-6)20(2)31-28(63-45)15-26-24-8-7-22-13-23(47)14-30(44(22,5)25(24)10-11-43(26,31)4)61-42-39(33(50)27(48)18-58-42)62-41-38(55)35(52)32(49)21(3)59-41/h7,19-21,23-42,46-55H,8-18H2,1-6H3/t19?,20-,21+,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | RMBBSCRRUXXNCM-YRWKIFBRSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 903.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22200 |