| SpectraBase Compound ID | EMJW2NvGC1l |
|---|---|
| InChI | InChI=1S/C40H54O13/c1-38-12-9-24(18-23(38)6-7-27-26(38)10-13-39(2)25(11-14-40(27,39)47)22-17-32(42)50-19-22)52-37-36(46)35(45)34(44)30(53-37)20-51-31(41)8-5-21-15-28(48-3)33(43)29(16-21)49-4/h5,8,15-17,23-27,30,34-37,43-47H,6-7,9-14,18-20H2,1-4H3/b8-5+/t23-,24-,25+,26-,27+,30+,34+,35-,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | UMPSALOXRRADAP-JCBIKUBLSA-N |
| Mol Weight | 742.9 g/mol |
| Molecular Formula | C40H54O13 |
| Exact Mass | 742.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GY1XFAoORPD |
|---|---|
| Name | SINAPINATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O13 |
| InChI | InChI=1S/C40H54O13/c1-38-12-9-24(18-23(38)6-7-27-26(38)10-13-39(2)25(11-14-40(27,39)47)22-17-32(42)50-19-22)52-37-36(46)35(45)34(44)30(53-37)20-51-31(41)8-5-21-15-28(48-3)33(43)29(16-21)49-4/h5,8,15-17,23-27,30,34-37,43-47H,6-7,9-14,18-20H2,1-4H3/b8-5+/t23-,24-,25+,26-,27+,30+,34+,35-,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | UMPSALOXRRADAP-JCBIKUBLSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,37,801(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90361-3 |
| Molecular Weight | 742.861 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23484 |