| SpectraBase Spectrum ID |
CRbfM0TPAEG |
| Name |
Caryophyllene <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/c1-17-6-5-7-19(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/h7,9-10,12-14,20-21,26H,1,5-6,8,11,15-16H2,2-4H3/b13-10+,19-7- |
| InChIKey |
XXDHHRWPPXAZJM-WKZNORLVSA-N |
| Molecular Weight |
396.527 g/mol |
| Nominal Mass |
396 u |
| Number of Peaks |
79 |
| SMILES |
Oc1c(cc(cc1)\C=C\C(OC\C=1CCC2C(C(CCC\1)=C)CC2(C)C)=O)OC |
| SPLASH |
splash10-00or-1910000000-00236fb732900543bcbe |
| Source |
Betula litwinowii buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
14-Hydroxy-.beta.-caryophyllene ferulate |
| Wiley ID |
VI000218 |
