| SpectraBase Compound ID | EKyxQTx6OL0 |
|---|---|
| InChI | InChI=1S/C27H36O13/c1-11(24(3,4)36)7-16(31)40-18-20-26-10-38-27(20,23(35)37-6)21(33)17(32)19(26)25(5,9-15(29)30)13(12(2)28)8-14(26)39-22(18)34/h7,13-14,17-21,32-33,36H,8-10H2,1-6H3,(H,29,30)/b11-7+/t13-,14+,17+,18+,19+,20+,21-,25-,26+,27-/m0/s1 |
| InChIKey | XCUJNJVWSGNCLX-SICMZMTOSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C27H36O13 |
| Exact Mass | 568.215591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXi2TrbsKlv |
|---|---|
| Name | BrUCEANIC-ACID-D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O13 |
| InChI | InChI=1S/C27H36O13/c1-11(24(3,4)36)7-16(31)40-18-20-26-10-38-27(20,23(35)37-6)21(33)17(32)19(26)25(5,9-15(29)30)13(12(2)28)8-14(26)39-22(18)34/h7,13-14,17-21,32-33,36H,8-10H2,1-6H3,(H,29,30)/b11-7+/t13-,14+,17+,18+,19+,20+,21-,25-,26+,27-/m0/s1 |
| InChIKey | XCUJNJVWSGNCLX-SICMZMTOSA-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 | 568.575 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE2017 |