| SpectraBase Compound ID | GwQdXfvxXbJ |
|---|---|
| InChI | InChI=1S/C34H42O15/c1-14(31(6,7)42)10-22(39)49-25-27-33-13-44-34(27,30(41)43-9)28(47-18(5)37)24(46-17(4)36)26(33)32(8)12-20(38)23(45-16(3)35)15(2)19(32)11-21(33)48-29(25)40/h10,19,21,24-28,42H,11-13H2,1-9H3/b14-10+/t19-,21+,24+,25+,26+,27+,28-,32-,33+,34-/m0/s1 |
| InChIKey | REWZZAPVSLCTQZ-FNERQPRYSA-N |
| Mol Weight | 690.7 g/mol |
| Molecular Formula | C34H42O15 |
| Exact Mass | 690.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jb3e9entzKQ |
|---|---|
| Name | BRUCEIN-C-TRIACETATE |
| CAS Registry Number | 55606-57-0 |
| Compound Number | 14B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42O15 |
| InChI | InChI=1S/C34H42O15/c1-14(31(6,7)42)10-22(39)49-25-27-33-13-44-34(27,30(41)43-9)28(47-18(5)37)24(46-17(4)36)26(33)32(8)12-20(38)23(45-16(3)35)15(2)19(32)11-21(33)48-29(25)40/h10,19,21,24-28,42H,11-13H2,1-9H3/b14-10+/t19-,21+,24+,25+,26+,27+,28-,32-,33+,34-/m0/s1 |
| InChIKey | REWZZAPVSLCTQZ-FNERQPRYSA-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 | 690.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12424 |