| SpectraBase Compound ID | HvUeCLp4GMx |
|---|---|
| InChI | InChI=1S/C27H36O12/c1-11(2)12(3)7-17(31)39-19-21-26-10-37-27(21,24(35)36-6)22(33)18(32)20(26)25(5,9-16(29)30)14(13(4)28)8-15(26)38-23(19)34/h7,11,14-15,18-22,32-33H,8-10H2,1-6H3,(H,29,30)/b12-7+/t14-,15+,18+,19+,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | LJQBOQTZZVQGBW-ZPODQXPHSA-N |
| Mol Weight | 552.6 g/mol |
| Molecular Formula | C27H36O12 |
| Exact Mass | 552.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LZBOTEreKY |
|---|---|
| Name | BrUCEANIC-ACID-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O12 |
| InChI | InChI=1S/C27H36O12/c1-11(2)12(3)7-17(31)39-19-21-26-10-37-27(21,24(35)36-6)22(33)18(32)20(26)25(5,9-16(29)30)14(13(4)28)8-15(26)38-23(19)34/h7,11,14-15,18-22,32-33H,8-10H2,1-6H3,(H,29,30)/b12-7+/t14-,15+,18+,19+,20+,21+,22-,25-,26+,27-/m0/s1 |
| InChIKey | LJQBOQTZZVQGBW-ZPODQXPHSA-N |
| Literature Reference Author | T.TOYOTA,N.FUKAMIYA,M.OKANO,K.TAGAHARA,J.J.CHANG,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,53,1526(1990) |
| Literature Reference DOI | 10.1021/np50072a020 |
| Molecular Weight | 552.576 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE2013 |