SpectraBase Spectrum ID |
Au1mGZSPIMX |
Name |
Caryophyllene <14-Hydroxy-4,5-dihydro-.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 |
368.235144887 u |
Formula |
C24H32O3 |
GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
InChI |
InChI=1S/C24H32O3/c1-17-5-4-6-19(9-13-22-21(17)15-24(22,2)3)16-27-23(26)14-10-18-7-11-20(25)12-8-18/h7-8,10-12,14,19,21-22,25H,1,4-6,9,13,15-16H2,2-3H3/b14-10+ |
InChIKey |
LTELBWZATKCGOJ-GXDHUFHOSA-N |
Molecular Weight |
368.517 g/mol |
Nominal Mass |
368 u |
Number of Peaks |
152 |
SMILES |
Oc1ccc(cc1)\C=C\C(OCC1CCC2C(C(CCC1)=C)CC2(C)C)=O |
SPLASH |
splash10-0002-3900000000-6c4999a6d183df00f316 |
Source |
Betula litwinowii buds |
Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
Synonyms |
14-Hydroxy-4,5-dihydro-.beta.-caryophyllene, p-coumarate |
Wiley ID |
VI000202 |