| SpectraBase Spectrum ID |
Cb2N1aqcbTz |
| Name |
Caryophyllene <14-Hydroxy-4,5-dihydro-> 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 |
398.245709571 u |
| Formula |
C25H34O4 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C25H34O4/c1-17-6-5-7-19(8-11-21-20(17)15-25(21,2)3)16-29-24(27)13-10-18-9-12-22(26)23(14-18)28-4/h9-10,12-14,19-21,26H,1,5-8,11,15-16H2,2-4H3/b13-10+ |
| InChIKey |
IGNNFGZCPYNKBO-JLHYYAGUSA-N |
| Molecular Weight |
398.543 g/mol |
| Nominal Mass |
398 u |
| Number of Peaks |
85 |
| SMILES |
Oc1c(cc(cc1)\C=C\C(OCC1CCC2C(C(CCC1)=C)CC2(C)C)=O)OC |
| SPLASH |
splash10-002f-1900000000-83f3862a57963380dc4b |
| Source |
Betula litwinowii buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
14-Hydroxy-4,5-dihydrocaryophyllene ferulate |
| Wiley ID |
VI000219 |
