SpectraBase Spectrum ID |
21DRHzmKPlP |
Name |
14-Acetoxy-(S,S)-4,5-epoxy-.beta.-caryophyllene |
Classification |
Sesquiterpenoids |
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 |
278.188194694 u |
Formula |
C17H26O3 |
InChI |
InChI=1S/C17H26O3/c1-11-5-6-15-17(20-15,10-19-12(2)18)8-7-14-13(11)9-16(14,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15+,17+/m1/s1 |
InChIKey |
BDESUTAYQPYKDJ-AIANPOQGSA-N |
Molecular Weight |
278.392 g/mol |
Number of Peaks |
15 |
SMILES |
[C@@]12(C(CC[C@]3([C@](CC[C@@]2([H])C(C)(C)C1)(COC(C)=O)O3)[H])=C)[H] |
SPLASH |
splash10-0006-9200000000-9356a14b0d7afc8c15f1 |
Source of Spectrum |
FF-18-89-6a (DOI: 10.1002/ffj.1159) |
Synonyms |
((1R,4S,6S,10S)-12,12-dimethyl-9-methylene-5-oxatricyclo[8.2.0.0(4,6)]dodecan-4-yl)methyl acetate |
Wiley ID |
1775321 |