| SpectraBase Compound ID | 5HB5wvT7FNK |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h14,16-17H,2,6-13H2,1,3-5H3,(H,23,24)/t14?,16-,17?,20+,21+/m0/s1 |
| InChIKey | NERLKRLQFYQBJR-QQQAUNGESA-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 | 6HZwqmLNes1 |
|---|---|
| Name | METHYL-ENT-LABD-8(17)-EN-18-OIC-ACID-15-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h14,16-17H,2,6-13H2,1,3-5H3,(H,23,24)/t14?,16-,17?,20+,21+/m0/s1 |
| InChIKey | NERLKRLQFYQBJR-QQQAUNGESA-N |
| Literature Reference Author | C.R.CARRERAS,P.C.ROSSOMANDO,O.S.GIORDANO |
| Literature Reference Citation | PHYTOCHEM.,48,1031(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00155-1 |
| Molecular Weight | 350.499 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1317 |