| SpectraBase Spectrum ID |
9fLIqlvZyCY |
| Name |
Pentatrimethylsilyl-3-O-caffeoyl-D-quinic acid ethyl ester |
| Alternate Name(s) |
Ethyl (1S,3S,4R,5S)-3-[((2E)-3-{3,4-bis[(trimethylsilyl)oxy]phenyl}-2-propenoyl)oxy]-1,4,5-tris[(trimethylsilyl)oxy]cyclohexanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H62O9Si5 |
| InChI |
InChI=1S/C33H62O9Si5/c1-17-36-32(35)33(42-47(14,15)16)23-28(31(41-46(11,12)13)29(24-33)40-45(8,9)10)37-30(34)21-19-25-18-20-26(38-43(2,3)4)27(22-25)39-44(5,6)7/h18-22,28-29,31H,17,23-24H2,1-16H3/b21-19+/t28?,29-,31+,33-/m0/s1 |
| InChIKey |
CQNMLXSULFZKSY-CXBHJYIPSA-N |
| Molecular Weight |
743.275 g/mol |
| SMILES |
[C@]1(C[C@](O[Si](C)(C)C)([C@@](C(C1)OC(\C=C\c1cc(O[Si](C)(C)C)c(cc1)O[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])[H])(C(=O)OCC)O[Si](C)(C)C |
| SPLASH |
splash10-0a4m-0029000400-54606cb6bf73aafef6d2 |
| Source of Spectrum |
O-31-602-0 |
| Wiley ID |
1416147 |
