| SpectraBase Compound ID | 54buQTBfteg |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | ACMWVFQSRHHUMC-WGRDYNQISA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Epbhkd1hxw |
|---|---|
| Name | BALLOTENOL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | ACMWVFQSRHHUMC-WGRDYNQISA-N |
| Literature Reference Author | D.TASDEMIR,O.STICHER,I.CALIS,A.LINDEN |
| Literature Reference Citation | J.NAT.PROD.,60,874(1997) |
| Literature Reference DOI | 10.1021/np9700782 |
| Molecular Weight | 350.455 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU412 |