| SpectraBase Spectrum ID |
HVIVXabfzcw |
| Name |
Caryophyllene <9-epi-14-Hydroxy-.beta.-> ferulate |
| 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 |
396.230059506 u |
| Formula |
C25H32O4 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C25H32O4/c1-17-6-5-7-18(2)20-15-25(3,21(20)11-8-17)16-29-24(27)13-10-19-9-12-22(26)23(14-19)28-4/h6,9-10,12-14,20-21,26H,2,5,7-8,11,15-16H2,1,3-4H3/b13-10+,17-6+ |
| InChIKey |
ZANZTYJAIWSSMC-BJEGKYCRSA-N |
| Molecular Weight |
396.527 g/mol |
| Nominal Mass |
396 u |
| Number of Peaks |
108 |
| SMILES |
Oc1c(cc(cc1)\C=C\C(OCC1(C2C(C(CC\C=C\(CC2)C)=C)C1)C)=O)OC |
| SPLASH |
splash10-004l-1900000000-0208a9e3de1e80100e0b |
| Source |
Betula litwinowii buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
9-epi-14-Hydroxy-.beta.-caryophyllene ferulate |
| Wiley ID |
VI000217 |
