| SpectraBase Compound ID | 4JsZX4bihe9 |
|---|---|
| InChI | InChI=1S/C28H38O11/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/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1 |
| InChIKey | OFEQMSZQMBVXLR-BWLCXNNMSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C28H38O11 |
| Exact Mass | 550.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kno0fxtA070 |
|---|---|
| Name | BRUCEANOL-H |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O11 |
| InChI | InChI=1S/C28H38O11/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/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1 |
| InChIKey | OFEQMSZQMBVXLR-BWLCXNNMSA-N |
| Literature Reference Author | K.IMAMURA,N.FUKAYIMA,M.NAKAMURA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,58,1915(1995) |
| Literature Reference DOI | 10.1021/np50126a019 |
| Molecular Weight | 550.603 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | WANG2481 |