| SpectraBase Compound ID | 30aEhRrV3xc |
|---|---|
| InChI | InChI=1S/C46H80O12Si7/c1-59(2,3)52-36-26-22-34(30-38(36)54-61(7,8)9)24-28-42(47)50-40-32-46(58-65(19,20)21,45(49)57-64(16,17)18)33-41(44(40)56-63(13,14)15)51-43(48)29-25-35-23-27-37(53-60(4,5)6)39(31-35)55-62(10,11)12/h22-31,40-41,44H,32-33H2,1-21H3/b28-24+,29-25+/t40-,41-,44-,46+/m1/s1 |
| InChIKey | LJMLXSGYHPGJFX-RZHHURLBSA-N |
| Mol Weight | 1021.7 g/mol |
| Molecular Formula | C46H80O12Si7 |
| Exact Mass | 1020.403464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KhqjV11Qwx9 |
|---|---|
| Name | Trimethylsilyl 3,5-Dicaffeoylquinate - per(trimethylsilyl) derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H80O12Si7 |
| InChI | InChI=1S/C46H80O12Si7/c1-59(2,3)52-36-26-22-34(30-38(36)54-61(7,8)9)24-28-42(47)50-40-32-46(58-65(19,20)21,45(49)57-64(16,17)18)33-41(44(40)56-63(13,14)15)51-43(48)29-25-35-23-27-37(53-60(4,5)6)39(31-35)55-62(10,11)12/h22-31,40-41,44H,32-33H2,1-21H3/b28-24+,29-25+/t40-,41-,44-,46+/m1/s1 |
| InChIKey | LJMLXSGYHPGJFX-RZHHURLBSA-N |
| Molecular Weight | 1021.729 g/mol |
| SMILES | [C@]1(C(O[Si](C)(C)C)=O)(C[C@@](OC(\C=C\c2cc(O[Si](C)(C)C)c(cc2)O[Si](C)(C)C)=O)([C@]([C@@](C1)(OC(\C=C\c1cc(c(O[Si](C)(C)C)cc1)O[Si](C)(C)C)=O)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C |
| SPLASH | splash10-0ab9-4169000001-3518af69eae982bf5c39 |
| Source of Spectrum | O-34-1242-0 |
| Wiley ID | 763320 |