| SpectraBase Compound ID | 2p0LOQv5MZI |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1 |
| InChIKey | KFVUFODCZDRVSS-XGBBNYNSSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXSYztxrMgi |
|---|---|
| Name | ISOSTEVIOL |
| CAS Registry Number | 27975-19-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1 |
| InChIKey | KFVUFODCZDRVSS-XGBBNYNSSA-N |
| Literature Reference Author | N.P.D.NANAYAAKKARA,J.A.KLOCKE,C.M.COMPADRE,R.A.HUSSAIN,J.M.P EZZUTO,A.D.KINGHORN |
| Literature Reference Citation | J.NAT.PROD.,50,434(1987) |
| Literature Reference DOI | 10.1021/np50051a015 |
| Molecular Weight | 318.456 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED17413 |