| SpectraBase Compound ID | H3jTLcOZGKw |
|---|---|
| InChI | InChI=1S/C21H24O9/c1-10(22)21(5,26)19(25)29-18-17(27-11(2)23)15-13(30-20(18,3)4)8-6-12-7-9-14(24)28-16(12)15/h6-10,17-18,22,26H,1-5H3/t10-,17-,18-,21-/m1/s1 |
| InChIKey | SGTANOTWXUMDPU-BOEKQVJSSA-N |
| Mol Weight | 420.41 g/mol |
| Molecular Formula | C21H24O9 |
| Exact Mass | 420.142032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77xDeNZ5PQ9 |
|---|---|
| Name | Hyuganin E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.142032344 u |
| Formula | C21H24O9 |
| InChI | InChI=1S/C21H24O9/c1-10(22)21(5,26)19(25)29-18-17(27-11(2)23)15-13(30-20(18,3)4)8-6-12-7-9-14(24)28-16(12)15/h6-10,17-18,22,26H,1-5H3/t10-,17-,18-,21-/m1/s1 |
| InChIKey | SGTANOTWXUMDPU-BOEKQVJSSA-N |
| Molecular Weight | 420.414 g/mol |
| SMILES | C=12[C@]([C@@](OC([C@@]([C@](O)(C)[H])(O)C)=O)(C(OC2=CC=C2C1OC(=O)C=C2)(C)C)[H])(OC(=O)C)[H] |