| SpectraBase Compound ID | DrGUg19Z9K7 |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-15(2)8-5-11-18(20(22)23)12-6-9-16(3)10-7-13-19-14-17(4)25-21(19)24/h8,10,12,14H,4-7,9,11,13H2,1-3H3,(H,22,23)/b16-10+,18-12- |
| InChIKey | WNZIQVGGRQXNAH-YIAMBQCRSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6JvvU5l1IO |
|---|---|
| Name | 17-Hydroxyisogutiesolbriolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.198759378 u |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-15(2)8-5-11-18(20(22)23)12-6-9-16(3)10-7-13-19-14-17(4)25-21(19)24/h8,10,12,14H,4-7,9,11,13H2,1-3H3,(H,22,23)/b16-10+,18-12- |
| InChIKey | WNZIQVGGRQXNAH-YIAMBQCRSA-N |
| Molecular Weight | 344.451 g/mol |
| SMILES | C1(OC(=C)C=C1CC\C=C\(CC\C=C/(C(=O)O)CCC=C(C)C)C)=O |