| SpectraBase Spectrum ID |
5Li7iQIvGxt |
| Name |
Caryophyllene <14-hydroxy-.beta.-> p-coumarate, mono-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 |
438.259021616 u |
| Formula |
C27H38O3Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C27H38O3Si/c1-20-8-7-9-22(12-16-25-24(20)18-27(25,2)3)19-29-26(28)17-13-21-10-14-23(15-11-21)30-31(4,5)6/h9-11,13-15,17,24-25H,1,7-8,12,16,18-19H2,2-6H3/b17-13+,22-9- |
| InChIKey |
LRAIGNPGPZHBSL-GUEPFUPWSA-N |
| Molecular Weight |
438.683 g/mol |
| Nominal Mass |
438 u |
| Number of Peaks |
348 |
| SMILES |
c1cc(ccc1\C=C\C(OC\C=1CCC2C(C(CCC\1)=C)CC2(C)C)=O)O[Si](C)(C)C |
| SPLASH |
splash10-014r-2590000000-6be2abea539c9cb34b60 |
| Source |
birch (B. pubescens; B. litwinowii) buds; birch-type propolis |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
14-Hydroxy-.beta.-caryophyllene, p-coumarate, mono-TMS |
| Wiley ID |
VI000203 |
