| SpectraBase Compound ID | 5cRtLa6E0Tn |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-18-7-5-8-19(2,17(23)24-4)13(18)6-9-21-11-20(3)12(10-14(18)21)15(20)16(21)22/h12-15H,5-11H2,1-4H3/t12-,13+,14+,15?,18-,19-,20-,21+/m0/s1 |
| InChIKey | CNJLICHZIVBXSX-TUYOYQIESA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYUq2AyUMhL |
|---|---|
| Name | METHYL-14-OXO-TRACHYLOBANATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-18-7-5-8-19(2,17(23)24-4)13(18)6-9-21-11-20(3)12(10-14(18)21)15(20)16(21)22/h12-15H,5-11H2,1-4H3/t12-,13+,14+,15?,18-,19-,20-,21+/m0/s1 |
| InChIKey | CNJLICHZIVBXSX-TUYOYQIESA-N |
| Literature Reference Author | R.M.CORY,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,11,252(1978) |
| Literature Reference DOI | 10.1002/mrc.1270110507 |
| Molecular Weight | 330.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW4721 |