| SpectraBase Compound ID | 6fZiGeO5fYT |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-18(2)9-5-10-19(3)14(18)8-11-20(4)15(19)7-6-13-12-22-17(21)16(13)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20+/m1/s1 |
| InChIKey | QIVDHSGTDUDBGY-VQIOPMHJSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SwUU9bwiNs |
|---|---|
| Name | ent-12-Spongien-15-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-18(2)9-5-10-19(3)14(18)8-11-20(4)15(19)7-6-13-12-22-17(21)16(13)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20+/m1/s1 |
| InChIKey | QIVDHSGTDUDBGY-VQIOPMHJSA-N |
| SMILES | [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C2C1C(OC2)=O)C |