| SpectraBase Compound ID | 2xkb2nSDAID |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-7-18(4)12-9-14-19(5)11-8-10-17(2,3)15(19)13-16(21)20(14,6)22-18/h14-15H,7-13H2,1-6H3/t14?,15-,18+,19+,20-/m1/s1 |
| InChIKey | LBLADJGSHHEETC-PHBYWZJISA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PnjgV7LMW |
|---|---|
| Name | Dihydro - 7 - keto - manoyl oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-7-18(4)12-9-14-19(5)11-8-10-17(2,3)15(19)13-16(21)20(14,6)22-18/h14-15H,7-13H2,1-6H3/t14?,15-,18+,19+,20-/m1/s1 |
| InChIKey | LBLADJGSHHEETC-PHBYWZJISA-N |
| SMILES | [C@@]12(C([C@@]3(CCCC([C@]3(CC2=O)[H])(C)C)C)CC[C@@](O1)(CC)C)C |