SpectraBase Spectrum ID |
DjUXgyqISFP |
Name |
Chlorogenic acid , hexa-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 |
786.332242906 u |
Formula |
C34H66O9Si6 |
GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
InChI |
InChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-32-29(40-46(7,8)9)24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(32)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20+ |
InChIKey |
TVNYJEUSYBSSPM-LSDHQDQOSA-N |
Molecular Weight |
787.403 g/mol |
Nominal Mass |
786 u |
Number of Peaks |
235 |
SMILES |
C1(CC(C(C(C1)O[Si](C)(C)C)OC(\C=C\c1cc(c(cc1)O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C |
SPLASH |
splash10-0a4i-2259100000-7c0c7710a406b9dc4acb |
Source |
Sigma-Aldrich, Cynara scolymus L. |
Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
Synonyms |
Cryptochlorogenic acid, hexa-TMS; 4-O-caffeoylquinic acid, hexa-TMS |
Wiley ID |
VI001283 |