| SpectraBase Compound ID | CfWrGsRzf1i |
|---|---|
| InChI | InChI=1S/C21H33BrO2/c1-15(8-7-12-19(3,4)24-6)17-11-13-20(5)18(22)10-9-16(2)21(20,23)14-17/h7-8,12,17-18,23H,2,9-11,13-14H2,1,3-6H3/b12-7+,15-8+/t17-,18-,20+,21-/m1/s1 |
| InChIKey | ABUOJYVVQSTENN-UVJLBPFISA-N |
| Mol Weight | 397.4 g/mol |
| Molecular Formula | C21H33BrO2 |
| Exact Mass | 396.166393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Sj3VBa0rNi |
|---|---|
| Name | APLYSIADIOL-METHYLETHER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H33BrO2 |
| InChI | InChI=1S/C21H33BrO2/c1-15(8-7-12-19(3,4)24-6)17-11-13-20(5)18(22)10-9-16(2)21(20,23)14-17/h7-8,12,17-18,23H,2,9-11,13-14H2,1,3-6H3/b12-7+,15-8+/t17-,18-,20+,21-/m1/s1 |
| InChIKey | ABUOJYVVQSTENN-UVJLBPFISA-N |
| Literature Reference Author | M.OJIKA,Y.YOSHIDA,M.OKUMURA,S.IEDA,K.YAMADA |
| Literature Reference Citation | J.NAT.PROD.,53,1619(1990) |
| Literature Reference DOI | 10.1021/np50072a042 |
| Molecular Weight | 397.396 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWGE2086 |