| SpectraBase Compound ID | 8xiDeViDyOA |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-18-8-4-9-19(2,17(23)24-3)13(18)7-10-20-11-12(5-6-14(18)20)15(21)16(20)22/h12-14,16,22H,4-11H2,1-3H3/t12-,13-,14+,16-,18+,19-,20-/m1/s1 |
| InChIKey | DQVLTJXENVCODF-FGJJHURASA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xKaLAm9CKM |
|---|---|
| Name | 16-Demethylene-16-hydroxy-17-oxokaurenic acid methyl ester dev. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-18-8-4-9-19(2,17(23)24-3)13(18)7-10-20-11-12(5-6-14(18)20)15(21)16(20)22/h12-14,16,22H,4-11H2,1-3H3/t12-,13-,14+,16-,18+,19-,20-/m1/s1 |
| InChIKey | DQVLTJXENVCODF-FGJJHURASA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | [C@]123[C@]([C@@]4([C@@]([C@](C(=O)OC)(CCC4)C)([H])CC1)C)(CC[C@](C2)(C([C@]3(O)[H])=O)[H])[H] |