| SpectraBase Compound ID | 79OIZg6e5v3 |
|---|---|
| InChI | InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3/t17-/m0/s1 |
| InChIKey | RVKDAOFCDAPVGX-KRWDZBQOSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C27H32O5 |
| Exact Mass | 436.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CGsL3zxDGL |
|---|---|
| Name | Kanzonol I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.224974125 u |
| Formula | C27H32O5 |
| InChI | InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3/t17-/m0/s1 |
| InChIKey | RVKDAOFCDAPVGX-KRWDZBQOSA-N |
| Molecular Weight | 436.548 g/mol |
| SMILES | C12=C(C=CC(O2)(C)C)C(O)=CC=C1[C@]1(CC2=C(C(CC=C(C)C)=C(C=C2OC1)OC)OC)[H] |