| SpectraBase Compound ID | 5cr9WuZmEJW |
|---|---|
| InChI | InChI=1S/C18H22O7/c1-10(19)24-15(18(2,3)21)8-12-14(23-5)9-13(22-4)11-6-7-16(20)25-17(11)12/h6-7,9,15,21H,8H2,1-5H3 |
| InChIKey | JOKAQVKDPVUHRR-UHFFFAOYSA-N |
| Mol Weight | 350.37 g/mol |
| Molecular Formula | C18H22O7 |
| Exact Mass | 350.136553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxSqC2QdQyx |
|---|---|
| Name | Sibiricin, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.136553041 u |
| Formula | C18H22O7 |
| InChI | InChI=1S/C18H22O7/c1-10(19)24-15(18(2,3)21)8-12-14(23-5)9-13(22-4)11-6-7-16(20)25-17(11)12/h6-7,9,15,21H,8H2,1-5H3 |
| InChIKey | JOKAQVKDPVUHRR-UHFFFAOYSA-N |
| Molecular Weight | 350.367 g/mol |
| SMILES | C1=2OC(C=CC2C(=CC(=C1CC(OC(C)=O)C(O)(C)C)OC)OC)=O |