| SpectraBase Compound ID | A5J9yo1wlNK |
|---|---|
| InChI | InChI=1S/C28H30O11/c1-12-9-15(29)21(31)26(2)14(12)10-16-27-11-37-28(25(35)36-3,22(32)17(30)19(26)27)20(27)18(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-9,14,16-22,30-32H,10-11H2,1-3H3/t14-,16+,17+,18+,19?,20+,21+,22-,26-,27+,28-/m0/s1 |
| InChIKey | QSNVEJIGBNLCQI-MWVWOWFSSA-N |
| Mol Weight | 542.54 g/mol |
| Molecular Formula | C28H30O11 |
| Exact Mass | 542.178812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6udvKqLtl2 |
|---|---|
| Name | BRUCEANOL-A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O11 |
| InChI | InChI=1S/C28H30O11/c1-12-9-15(29)21(31)26(2)14(12)10-16-27-11-37-28(25(35)36-3,22(32)17(30)19(26)27)20(27)18(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-9,14,16-22,30-32H,10-11H2,1-3H3/t14-,16+,17+,18+,19?,20+,21+,22-,26-,27+,28-/m0/s1 |
| InChIKey | QSNVEJIGBNLCQI-MWVWOWFSSA-N |
| Literature Reference Author | M.OKANO,N.FUKAMIYA,T.ARATANI,M.JUICHI,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,48,972(1985) |
| Literature Reference DOI | 10.1021/np50042a017 |
| Molecular Weight | 542.540 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3565 |