| SpectraBase Compound ID | 6BbrVYueibm |
|---|---|
| InChI | InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-27(29)25-28/h18-19,23-24,27-29H,2-17,20-22,25-26H2,1H3/b19-18-,24-23- |
| InChIKey | UZMCKFMTMPGUBS-ZGFCXLKBSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C27H52O3 |
| Exact Mass | 424.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MKtByGNZTE |
|---|---|
| Name | Hanishenol A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.391645531 u |
| Formula | C27H52O3 |
| InChI | InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-27(29)25-28/h18-19,23-24,27-29H,2-17,20-22,25-26H2,1H3/b19-18-,24-23- |
| InChIKey | UZMCKFMTMPGUBS-ZGFCXLKBSA-N |
| Molecular Weight | 424.710 g/mol |
| SMILES | C(\C=C/OCC(O)CO)CC\C=C/CCCCCCCCCCCCCCCCC |