| SpectraBase Compound ID | 3tfVU1FxRmT |
|---|---|
| InChI | InChI=1S/C42H54O22/c1-5-21-23(25(37(53)55-3)17-58-39(21)63-41-35(51)33(49)31(47)27(15-43)61-41)13-29(45)57-12-11-19-7-9-20(10-8-19)60-30(46)14-24-22(6-2)40(59-18-26(24)38(54)56-4)64-42-36(52)34(50)32(48)28(16-44)62-42/h5-10,17-18,23-24,27-28,31-36,39-44,47-52H,11-16H2,1-4H3/b21-5+,22-6+/t23?,24?,27-,28+,31-,32?,33+,34-,35-,36+,39?,40?,41+,42?/m1/s1 |
| InChIKey | ALDOLERJIYTYDY-CQGLTNHUSA-N |
| Mol Weight | 910.9 g/mol |
| Molecular Formula | C42H54O22 |
| Exact Mass | 910.310673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nIsrpBbXWz |
|---|---|
| Name | Secoiridoid glucoside gl5 |
| CAS Registry Number | 60037-40-3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C42H54O22 |
| InChI | InChI=1S/C42H54O22/c1-5-21-23(25(37(53)55-3)17-58-39(21)63-41-35(51)33(49)31(47)27(15-43)61-41)13-29(45)57-12-11-19-7-9-20(10-8-19)60-30(46)14-24-22(6-2)40(59-18-26(24)38(54)56-4)64-42-36(52)34(50)32(48)28(16-44)62-42/h5-10,17-18,23-24,27-28,31-36,39-44,47-52H,11-16H2,1-4H3/b21-5+,22-6+/t23?,24?,27-,28+,31-,32?,33+,34-,35-,36+,39?,40?,41+,42?/m1/s1 |
| InChIKey | ALDOLERJIYTYDY-CQGLTNHUSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | R.T. Calonde, C. Wong, A.I.Tsai, J. Am. Chem. Soc. 98, 3007 (1976). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |