| SpectraBase Compound ID | EGTDNLoctDT |
|---|---|
| InChI | InChI=1S/C31H38O8/c1-7-18(2)13-14-30(6)19(3)15-26(38-27(35)22-11-9-8-10-12-22)31-24(16-23(34)17-25(30)31)28(36-20(4)32)39-29(31)37-21(5)33/h7-13,16,19,23,25-26,28-29,34H,1,14-15,17H2,2-6H3/b18-13+/t19-,23-,25+,26+,28+,29+,30+,31-/m0/s1 |
| InChIKey | VGCCUPIWJIILLU-DSCHQJPUSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C31H38O8 |
| Exact Mass | 538.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HDrLbsKRBr |
|---|---|
| Name | RE-2-ALPHA-HYDROXYZUELANIN-6-BETA-BENZOATE;MINOR_ISOMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O8 |
| InChI | InChI=1S/C31H38O8/c1-7-18(2)13-14-30(6)19(3)15-26(38-27(35)22-11-9-8-10-12-22)31-24(16-23(34)17-25(30)31)28(36-20(4)32)39-29(31)37-21(5)33/h7-13,16,19,23,25-26,28-29,34H,1,14-15,17H2,2-6H3/b18-13+/t19-,23-,25+,26+,28+,29+,30+,31-/m0/s1 |
| InChIKey | VGCCUPIWJIILLU-DSCHQJPUSA-N |
| Literature Reference Author | G.M.V.JUNIOR,T.D.O.GONCALVES,L.O.REGASINI,P.M.P.FERREIRA,C.D .O.PESSOA,L.V.C.LOTU |
| Literature Reference Citation | J.NAT.PROD.,72,1847(2009) |
| Literature Reference DOI | 10.1021/np9004079 |
| Molecular Weight | 538.638 g/mol |
| Sample ID | 33728 |
| Solvent | CDCl3 |