| SpectraBase Spectrum ID |
ATwOTfGAkHn |
| Name |
Glycerol <2-acetyl-1-caffeoyl-3-p-coumaroyl->, tri-TMS |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
658.244962657 u |
| Formula |
C32H46O9Si3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C32H46O9Si3/c1-24(33)38-28(22-36-31(34)19-14-25-11-16-27(17-12-25)39-42(2,3)4)23-37-32(35)20-15-26-13-18-29(40-43(5,6)7)30(21-26)41-44(8,9)10/h11-21,28H,22-23H2,1-10H3/b19-14+,20-15+ |
| InChIKey |
BXPRUVIIQIIRBP-PXXPDPNMSA-N |
| Molecular Weight |
658.966 g/mol |
| Nominal Mass |
658 u |
| Number of Peaks |
267 |
| SMILES |
C(OCC(OC(C)=O)COC(\C=C\c1ccc(cc1)O[Si](C)(C)C)=O)(\C=C\c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)=O |
| SPLASH |
splash10-00ri-4398000000-be3e093536699f392a4a |
| Source |
aspen (P. tremula) buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
2-Acetyl-1-caffeoyl-3-p-coumaroylglycerol, tri-TMS |
| Wiley ID |
VI000011 |
