| SpectraBase Spectrum ID |
95pRJBip6tw |
| Name |
Caryophyllene <14-hydroxy-.beta.-> ferulate, mono-TMS |
| 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 |
468.269586299 u |
| Formula |
C28H40O4Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C28H40O4Si/c1-20-9-8-10-22(11-14-24-23(20)18-28(24,2)3)19-31-27(29)16-13-21-12-15-25(26(17-21)30-4)32-33(5,6)7/h10,12-13,15-17,23-24H,1,8-9,11,14,18-19H2,2-7H3/b16-13+,22-10- |
| InChIKey |
KCXLGRSQWOZCQW-LOBNVGNVSA-N |
| Molecular Weight |
468.709 g/mol |
| Nominal Mass |
468 u |
| Number of Peaks |
68 |
| SMILES |
c1c(c(cc(c1)\C=C\C(OC\C1=C/CCC(C2C(CC1)C(C2)(C)C)=C)=O)OC)O[Si](C)(C)C |
| SPLASH |
splash10-01ba-4790000000-f3eb4bf448480582c675 |
| Source |
birch (B. pubescens; B. litwinowii) buds; birch-type propolis |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
14-Hydroxy-.beta.-caryophyllene ferulate, mono-TMS |
| Wiley ID |
VI000992 |
