| SpectraBase Compound ID | 7Dnh0Szolf8 |
|---|---|
| InChI | InChI=1S/C30H38O17/c31-10-14-9-18(35)30(7-8-42-27(20(14)30)46-28-24(40)23(39)21(37)16(11-32)43-28)47-29-25(41)26(22(38)17(12-33)44-29)45-19(36)6-3-13-1-4-15(34)5-2-13/h1-9,16-18,20-29,31-35,37-41H,10-12H2/b6-3+/t16-,17+,18+,20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,30+/m0/s1 |
| InChIKey | NCNSYPDKZHQEGY-FMCGYBCSSA-N |
| Mol Weight | 670.6 g/mol |
| Molecular Formula | C30H38O17 |
| Exact Mass | 670.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeBXKGTg85e |
|---|---|
| Name | STACHYSOSIDE_E;MELITTOSIDE_3''-O-PARA-(E)-COUMAROYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O17 |
| InChI | InChI=1S/C30H38O17/c31-10-14-9-18(35)30(7-8-42-27(20(14)30)46-28-24(40)23(39)21(37)16(11-32)43-28)47-29-25(41)26(22(38)17(12-33)44-29)45-19(36)6-3-13-1-4-15(34)5-2-13/h1-9,16-18,20-29,31-35,37-41H,10-12H2/b6-3+/t16-,17+,18+,20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,30+/m0/s1 |
| InChIKey | NCNSYPDKZHQEGY-FMCGYBCSSA-N |
| Literature Reference Author | T.MURATA,Y.ENDO,T.MIYASE,F.YOSHIZAKI |
| Literature Reference Citation | J.NAT.PROD.,71,1768(2008) |
| Literature Reference DOI | 10.1021/np8001805 |
| Molecular Weight | 670.622 g/mol |
| Sample ID | 29195 |
| Solvent | CD3OD |