| SpectraBase Compound ID | dhgrESwyro |
|---|---|
| InChI | InChI=1S/C19H26O7/c1-10-14-6-5-13(9-24-11(2)20)19(23)8-7-15(25-12(3)21)18(19,4)16(14)26-17(10)22/h13-16,23H,1,5-9H2,2-4H3/t13?,14-,15-,16+,18-,19+/m0/s1 |
| InChIKey | VZMMBSHKZWOROL-AWYAJGHPSA-N |
| Mol Weight | 366.41 g/mol |
| Molecular Formula | C19H26O7 |
| Exact Mass | 366.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lm5kOVdFROn |
|---|---|
| Name | Tetraneurin F |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.167853170 u |
| Formula | C19H26O7 |
| InChI | InChI=1S/C19H26O7/c1-10-14-6-5-13(9-24-11(2)20)19(23)8-7-15(25-12(3)21)18(19,4)16(14)26-17(10)22/h13-16,23H,1,5-9H2,2-4H3/t13?,14-,15-,16+,18-,19+/m0/s1 |
| InChIKey | VZMMBSHKZWOROL-AWYAJGHPSA-N |
| Molecular Weight | 366.410 g/mol |
| SMILES | [C@@]12([C@@]3(OC(=O)C([C@@]3(CCC([C@@]1(CC[C@@]2(OC(=O)C)[H])O)COC(=O)C)[H])=C)[H])C |