| SpectraBase Compound ID | H0lKXHiZeOZ |
|---|---|
| InChI | InChI=1S/C30H33NO6/c1-30(2)35-20-24(37-30)26-27(33-18-21-12-6-3-7-13-21)25(31-28(32)23-16-10-5-11-17-23)29(36-26)34-19-22-14-8-4-9-15-22/h3-17,24-27,29H,18-20H2,1-2H3,(H,31,32)/t24?,25-,26-,27-,29-/m1/s1 |
| InChIKey | GANOTTWGTWJEQZ-XHZGOWTFSA-N |
| Mol Weight | 503.6 g/mol |
| Molecular Formula | C30H33NO6 |
| Exact Mass | 503.230788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kxVpPt3Mih |
|---|---|
| Name | Benzyl 2-benzamido-3-o-benzyl-2-deoxy-5,6-o-isopropylidenehexofuranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 503.230787781 u |
| Formula | C30H33NO6 |
| InChI | InChI=1S/C30H33NO6/c1-30(2)35-20-24(37-30)26-27(33-18-21-12-6-3-7-13-21)25(31-28(32)23-16-10-5-11-17-23)29(36-26)34-19-22-14-8-4-9-15-22/h3-17,24-27,29H,18-20H2,1-2H3,(H,31,32)/t24?,25-,26-,27-,29-/m1/s1 |
| InChIKey | GANOTTWGTWJEQZ-XHZGOWTFSA-N |
| Molecular Weight | 503.595 g/mol |
| SMILES | [C@@]1([C@]([C@@](C2COC(O2)(C)C)(O[C@]1(OCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])(NC(=O)C=1C=CC=CC1)[H] |