| SpectraBase Spectrum ID |
K57Ozytsw0m |
| Name |
Humulene <14-hydroxy-.alpha.-> ferulate, mono-TMS (impure) |
| 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 |
468.269586299 u |
| Formula |
C28H40O4Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C28H40O4Si/c1-22-10-8-11-23(2)17-19-28(3,18-9-12-22)21-31-27(29)16-14-24-13-15-25(26(20-24)30-4)32-33(5,6)7/h9-10,13-18,20H,8,11-12,19,21H2,1-7H3/b16-14+,18-9+,22-10+,23-17+ |
| InChIKey |
NJVVTYIRDCPUBD-AMSLEXQSSA-N |
| Molecular Weight |
468.709 g/mol |
| Nominal Mass |
468 u |
| Number of Peaks |
112 |
| SMILES |
c1c(cc(c(c1)O[Si](C)(C)C)OC)\C=C\C(OCC1(C\C=C\(CC\C=C\(C\C=C\1)C)C)C)=O |
| SPLASH |
splash10-00kb-5890000000-13209b1ad123c47014ea |
| Source |
birch (B. pubescens; B. litwinowii) buds; birch-type propolis |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI002052 |
