| SpectraBase Compound ID | Jh0qYYwG9Lv |
|---|---|
| InChI | InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14-,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| InChIKey | YDWODLQEUPYKGJ-BTSSXRRVSA-N |
| Mol Weight | 480.47 g/mol |
| Molecular Formula | C23H28O11 |
| Exact Mass | 480.163162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sNm4XEEZ7a |
|---|---|
| Name | BRUCEIN-B |
| CAS Registry Number | 25514-29-8 |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O11 |
| InChI | InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14-,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| InChIKey | YDWODLQEUPYKGJ-BTSSXRRVSA-N |
| Literature Reference Author | J.POLONSKY,Z.BASKEVITCH,H.E.GOTTLIEB,E.W.HAGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,40,2499(1975) |
| Literature Reference DOI | 10.1021/jo00905a017 |
| Molecular Weight | 480.469 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS12421 |