| SpectraBase Compound ID | 9RLb4mbXosr |
|---|---|
| InChI | InChI=1S/C20H24O7/c1-6-9(2)18(23)26-16-15-11(4)19(24)25-13(15)7-10(3)12-8-14(21)20(5,27-12)17(16)22/h6,8,10,13,15-17,22H,4,7H2,1-3,5H3/b9-6+/t10-,13+,15+,16+,17-,20+/m1/s1 |
| InChIKey | FTVMWSOWJLIHCD-NVSGTBBGSA-N |
| Mol Weight | 376.41 g/mol |
| Molecular Formula | C20H24O7 |
| Exact Mass | 376.152203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WDaJ3GJmCS |
|---|---|
| Name | 8.beta.-Angeloyloxy-9.alpha-hydroxy-calyculatolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.152203106 u |
| Formula | C20H24O7 |
| InChI | InChI=1S/C20H24O7/c1-6-9(2)18(23)26-16-15-11(4)19(24)25-13(15)7-10(3)12-8-14(21)20(5,27-12)17(16)22/h6,8,10,13,15-17,22H,4,7H2,1-3,5H3/b9-6+/t10-,13+,15+,16+,17-,20+/m1/s1 |
| InChIKey | FTVMWSOWJLIHCD-NVSGTBBGSA-N |
| Molecular Weight | 376.405 g/mol |
| SMILES | [C@@]12(OC([C@@](C[C@]3([C@@]([C@@]([C@]2(O)[H])(OC(\C(=C\C)C)=O)[H])(C(C(=O)O3)=C)[H])[H])(C)[H])=CC1=O)C |