| SpectraBase Compound ID | KmULlslrtyP |
|---|---|
| InChI | InChI=1S/C27H30O12/c1-12(28)14-9-15-26-11-37-27(24(35)36-3,21(32)17(31)19(26)25(14,2)10-16(29)30)20(26)18(23(34)38-15)39-22(33)13-7-5-4-6-8-13/h4-8,14-15,17-21,31-32H,9-11H2,1-3H3,(H,29,30)/t14-,15+,17+,18+,19+,20+,21-,25-,26+,27-/m0/s1 |
| InChIKey | WPXXXQOSXRQJOB-IJFOBFRUSA-N |
| Mol Weight | 546.53 g/mol |
| Molecular Formula | C27H30O12 |
| Exact Mass | 546.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4pNrRSsk3s |
|---|---|
| Name | BrUCEANIC-ACID-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O12 |
| InChI | InChI=1S/C27H30O12/c1-12(28)14-9-15-26-11-37-27(24(35)36-3,21(32)17(31)19(26)25(14,2)10-16(29)30)20(26)18(23(34)38-15)39-22(33)13-7-5-4-6-8-13/h4-8,14-15,17-21,31-32H,9-11H2,1-3H3,(H,29,30)/t14-,15+,17+,18+,19+,20+,21-,25-,26+,27-/m0/s1 |
| InChIKey | WPXXXQOSXRQJOB-IJFOBFRUSA-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 | 546.528 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE2015 |