| SpectraBase Compound ID | 6TduUXoD8od |
|---|---|
| InChI | InChI=1S/C22H34O6/c1-13(23)9-10-16-21(6)12-8-11-20(4,5)18(21)17(27-14(2)24)19(22(16,7)26)28-15(3)25/h9-10,16-19,26H,8,11-12H2,1-7H3/b10-9+/t16-,17-,18+,19+,21-,22+/m1/s1 |
| InChIKey | XNFSXRPMNKHYNE-XCUWDRSRSA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C22H34O6 |
| Exact Mass | 394.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63EADu9NcUU |
|---|---|
| Name | Sterebin A, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.235538809 u |
| Formula | C22H34O6 |
| InChI | InChI=1S/C22H34O6/c1-13(23)9-10-16-21(6)12-8-11-20(4,5)18(21)17(27-14(2)24)19(22(16,7)26)28-15(3)25/h9-10,16-19,26H,8,11-12H2,1-7H3/b10-9+/t16-,17-,18+,19+,21-,22+/m1/s1 |
| InChIKey | XNFSXRPMNKHYNE-XCUWDRSRSA-N |
| Molecular Weight | 394.508 g/mol |
| SMILES | C1CC([C@]2([C@](C1)([C@@](\C=C\C(C)=O)([C@@]([C@]([C@@]2(OC(=O)C)[H])(OC(=O)C)[H])(O)C)[H])C)[H])(C)C |