| SpectraBase Compound ID | JcBLeCBH0hr |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-20(2)27-12-18(28-20)21(3)8-9-22(4)14(11-21)6-7-15-16(22)10-17(25)19(26)23(15,5)13-24/h10,14-15,18-19,24,26H,6-9,11-13H2,1-5H3/t14-,15-,18?,19+,21-,22-,23-/m1/s1 |
| InChIKey | FIPDXESYBKHAOQ-FEYGKSCRSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6eAARUT7sUz |
|---|---|
| Name | Effusenone A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-20(2)27-12-18(28-20)21(3)8-9-22(4)14(11-21)6-7-15-16(22)10-17(25)19(26)23(15,5)13-24/h10,14-15,18-19,24,26H,6-9,11-13H2,1-5H3/t14-,15-,18?,19+,21-,22-,23-/m1/s1 |
| InChIKey | FIPDXESYBKHAOQ-FEYGKSCRSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C1=2[C@]3([C@](C[C@@](CC3)(C3OC(C)(C)OC3)C)([H])CC[C@]1([C@](CO)(C)[C@](C(C2)=O)(O)[H])[H])C |