| SpectraBase Compound ID | Ktne1EgzrYS |
|---|---|
| InChI | InChI=1S/C20H21NO6/c1-21-6-5-11-7-15-16(26-9-25-15)8-13(11)17(21)18(22)12-3-4-14-20(19(12)23-2)27-10-24-14/h3-4,7-8,17-18,22H,5-6,9-10H2,1-2H3 |
| InChIKey | QSOREJPUATVISE-UHFFFAOYSA-N |
| Mol Weight | 371.39 g/mol |
| Molecular Formula | C20H21NO6 |
| Exact Mass | 371.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfYCE6MGzJP |
|---|---|
| Name | (-)-bicucullinediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.136887394 u |
| Formula | C20H21NO6 |
| InChI | InChI=1S/C20H21NO6/c1-21-6-5-11-7-15-16(26-9-25-15)8-13(11)17(21)18(22)12-3-4-14-20(19(12)23-2)27-10-24-14/h3-4,7-8,17-18,22H,5-6,9-10H2,1-2H3 |
| InChIKey | QSOREJPUATVISE-UHFFFAOYSA-N |
| Molecular Weight | 371.389 g/mol |
| SMILES | C=12C(C(C=3C(=C4OCOC4=CC3)OC)O)N(C)CCC2=CC2=C(C1)OCO2 |