| SpectraBase Compound ID | Jg4H7Xy9ie9 |
|---|---|
| InChI | InChI=1S/C19H24O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h3-5,7,9,13,15-17,20H,6,8,10-11H2,1-2H3/t13-,15+,16+,17-/m0/s1 |
| InChIKey | ZBQFYXIUXSJWJZ-SVGFKBNWSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C19H24O3 |
| Exact Mass | 300.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9792KD5CgCD |
|---|---|
| Name | .alpha.,.beta.-Hydromonacolin Q |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.172544630 u |
| Formula | C19H24O3 |
| InChI | InChI=1S/C19H24O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h3-5,7,9,13,15-17,20H,6,8,10-11H2,1-2H3/t13-,15+,16+,17-/m0/s1 |
| InChIKey | ZBQFYXIUXSJWJZ-SVGFKBNWSA-N |
| SMILES | C1(C[C@@](C[C@](O1)(CC[C@]1([C@](C=CC2=C1C=CC(=C2)C)(C)[H])[H])[H])(O)[H])=O |