| SpectraBase Compound ID | 6J4kG2770ze |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-3-4-5-6-7-8-10-16(22)13-14-19(24-2)17-15-18(17)20-11-9-12-21(23)25-20/h7-8,13-14,16-20,22H,3-6,9-12,15H2,1-2H3/b8-7+,14-13+/t16-,17+,18+,19+,20+/m1/s1 |
| InChIKey | XEXGECCITGJVFI-BWCULQQOSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pbBkQF9jAi |
|---|---|
| Name | 9-O-METHYLCONSTANOLACTONE-A |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-3-4-5-6-7-8-10-16(22)13-14-19(24-2)17-15-18(17)20-11-9-12-21(23)25-20/h7-8,13-14,16-20,22H,3-6,9-12,15H2,1-2H3/b8-7+,14-13+/t16-,17+,18+,19+,20+/m1/s1 |
| InChIKey | XEXGECCITGJVFI-BWCULQQOSA-N |
| Literature Reference Author | D.G.NAGLE,W.H.GERWICK |
| Literature Reference Citation | J.ORG.CHEM.,59,7227(1994) |
| Literature Reference DOI | 10.1021/jo00103a012 |
| Molecular Weight | 350.499 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP7374 |