| SpectraBase Spectrum ID |
FdFwoJJmbud |
| Name |
Quinic acid <1,5-dicaffeoyl->, hepta-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 |
1020.403463749 u |
| Formula |
C46H80O12Si7 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| 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(45(49)58-65(19,20)21,33-41(56-63(13,14)15)44(40)57-64(16,17)18)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+ |
| InChIKey |
HGJDTYAENJTFCE-NLLYGJECSA-N |
| Molecular Weight |
1021.729 g/mol |
| Nominal Mass |
1020 u |
| Number of Peaks |
96 |
| SMILES |
c1(c(cc(cc1)\C=C\C(OC1(CC(C(C(C1)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[Si](C)(C)C)=O)=O)O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH |
splash10-0aba-2239000000-4e137a5bebafe4e0f572 |
| Source |
Cynara scolymus; Aegopodium podagraria |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
1.5-Dicaffeoylquinic acid, hepta-TMS |
| Wiley ID |
VI002092 |
