| SpectraBase Compound ID | En4TrwOPpCh |
|---|---|
| InChI | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| InChIKey | IRQXZTBHNKVIRL-GOTQHHPNSA-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 | 5SYIY0HSF8B |
|---|---|
| Name | BRUCEANTIN |
| Compound Number | 5 |
| 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)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| InChIKey | IRQXZTBHNKVIRL-GOTQHHPNSA-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 | UWCS17914 |