| SpectraBase Compound ID | 377FFEhps55 |
|---|---|
| InChI | InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23?,26+,27-,28+/m1/s1 |
| InChIKey | PCKQDAAUYVCTJJ-VWJUAWBTSA-N |
| Mol Weight | 548.6 g/mol |
| Molecular Formula | C28H36O11 |
| Exact Mass | 548.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhQoD7i2cQa |
|---|---|
| Name | BRUCEANOL-F |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O11 |
| InChI | InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23?,26+,27-,28+/m1/s1 |
| InChIKey | PCKQDAAUYVCTJJ-VWJUAWBTSA-N |
| Literature Reference Author | K.IMAMURA,N.FUKAMIYA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,56,2091(1993) |
| Literature Reference DOI | 10.1021/np50102a010 |
| Molecular Weight | 548.587 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS17912 |