| SpectraBase Spectrum ID |
2j4B2KUtUNT |
| Name |
Caryophyllene <9-epi-14-Hydroxy-.beta.->, p-coumarate |
| 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 |
366.219494823 u |
| Formula |
C24H30O3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C24H30O3/c1-17-5-4-6-18(2)21-15-24(3,22(21)13-7-17)16-27-23(26)14-10-19-8-11-20(25)12-9-19/h5,8-12,14,21-22,25H,2,4,6-7,13,15-16H2,1,3H3/b14-10+,17-5+ |
| InChIKey |
LLVRLUGRHLCCTG-DJGCIFLASA-N |
| Molecular Weight |
366.501 g/mol |
| Nominal Mass |
366 u |
| Number of Peaks |
123 |
| SMILES |
Oc1ccc(cc1)\C=C\C(OCC1(C2C(C(CC\C=C\(CC2)C)=C)C1)C)=O |
| SPLASH |
splash10-0002-2900000000-149651aa615272de1c2f |
| Source |
Betula litwinowii buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
9-epi-14-Hydroxy-.beta.-caryophyllene, p-coumarate |
| Wiley ID |
VI000201 |
