| SpectraBase Compound ID | AlpNSQTsfMG |
|---|---|
| InChI | InChI=1S/C27H40O14/c1-24(2)34-16-12(32-22-20(18(16)36-24)38-26(5,6)40-22)10-30-14(28)9-15(29)31-11-13-17-19(37-25(3,4)35-17)21-23(33-13)41-27(7,8)39-21/h12-13,16-23H,9-11H2,1-8H3/t12?,13?,16-,17-,18?,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | RCRMOHKPUFSWQA-YSQOBLFESA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C27H40O14 |
| Exact Mass | 588.241806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvUOVgKWGBE |
|---|---|
| Name | bis-(1,2:3,4)-di-o-Isopropylidene-.alpha.-D-galactopyranosyl) malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 588.241805954 u |
| Formula | C27H40O14 |
| InChI | InChI=1S/C27H40O14/c1-24(2)34-16-12(32-22-20(18(16)36-24)38-26(5,6)40-22)10-30-14(28)9-15(29)31-11-13-17-19(37-25(3,4)35-17)21-23(33-13)41-27(7,8)39-21/h12-13,16-23H,9-11H2,1-8H3/t12?,13?,16-,17-,18?,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | RCRMOHKPUFSWQA-YSQOBLFESA-N |
| Molecular Weight | 588.603 g/mol |
| SMILES | [C@@]12(C3[C@@](OC(O3)(C)C)(C(O[C@@]1(OC(O2)(C)C)[H])COC(CC(OCC1[C@]2(C(OC(O2)(C)C)[C@]2([C@](O1)(OC(C)(C)O2)[H])[H])[H])=O)=O)[H])[H] |