| SpectraBase Compound ID | 66XkUHXBjiY |
|---|---|
| InChI | InChI=1S/C47H48O11/c48-45(49)42-40(51-27-33-18-8-2-9-19-33)41(52-28-34-20-10-3-11-21-34)44(54-30-36-24-14-5-15-25-36)47(58-42)57-38-37-31-55-46(56-37)43(53-29-35-22-12-4-13-23-35)39(38)50-26-32-16-6-1-7-17-32/h1-25,37-44,46-47H,26-31H2,(H,48,49)/t37-,38?,39+,40+,41+,42+,43-,44-,46-,47?/m1/s1 |
| InChIKey | PTTOTHNASDWROH-DMANDCBXSA-N |
| Mol Weight | 788.9 g/mol |
| Molecular Formula | C47H48O11 |
| Exact Mass | 788.319662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4a8czdpnKfB |
|---|---|
| Name | Maltosuronic acid, 1',6'-anhydro-penta-o-benzyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 788.319662355 u |
| Formula | C47H48O11 |
| InChI | InChI=1S/C47H48O11/c48-45(49)42-40(51-27-33-18-8-2-9-19-33)41(52-28-34-20-10-3-11-21-34)44(54-30-36-24-14-5-15-25-36)47(58-42)57-38-37-31-55-46(56-37)43(53-29-35-22-12-4-13-23-35)39(38)50-26-32-16-6-1-7-17-32/h1-25,37-44,46-47H,26-31H2,(H,48,49)/t37-,38?,39+,40+,41+,42+,43-,44-,46-,47?/m1/s1 |
| InChIKey | PTTOTHNASDWROH-DMANDCBXSA-N |
| Molecular Weight | 788.890 g/mol |
| SMILES | [C@@]1([C@](OC([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])OC1[C@@]2(O[C@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OC2)[H])[H])(C(=O)O)[H])(OCC1=CC=CC=C1)[H] |