| SpectraBase Spectrum ID |
3unZDU6hN4x |
| Name |
Caryophyllene <14-hydroxy-.beta.-iso-> 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/h10-15,17,24-25H,1,7-9,16,18-19H2,2-6H3/b17-13+,22-12+ |
| InChIKey |
UPNKRFPRNZQORK-IVHPCTTCSA-N |
| Molecular Weight |
438.683 g/mol |
| Nominal Mass |
438 u |
| Number of Peaks |
96 |
| SMILES |
c1c(ccc(c1)O[Si](C)(C)C)\C=C\C(OC\C1=C\CC2C(C(CCC1)=C)CC2(C)C)=O |
| SPLASH |
splash10-01b9-6980010000-6ac832029d12fa97f06f |
| 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.-isocaryophyllene p-coumarate, mono-TMS |
| Wiley ID |
VI000345 |
