(-)-Caryophyllene oxide

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Systematic / IUPAC Name: (1R,4R,6R,10S)-4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane

ID: Reference6554

Other Names: β-Caryophyllene oxide;
(-)-β-Caryophyllene epoxide;
(-)-Epoxycaryophyllene;
(-)-Epoxydihydrocaryophyllene;
(1R,4R,5R,9S)-4,5-Epoxycaryophyllan-8(13)-ene ; more

Formula: C15H24O

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites Natural Products/Medicines Excipients/Additives/Colorants

Spectral Data

(-)-Caryophyllene oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 4581
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/30/2018 12:48:12 PM
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Identificators

InChI InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
InChI Key NVEQFIOZRFFVFW-RGCMKSIDSA-N
Canonical SMILES CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
CAS 1139306
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Other Names β-Caryophyllene oxide;
(-)-β-Caryophyllene epoxide;
(-)-Epoxycaryophyllene;
(-)-Epoxydihydrocaryophyllene;
(1R,4R,5R,9S)-4,5-Epoxycaryophyllan-8(13)-ene;
trans-Caryophyllene oxide;
Caryophyllene epoxide;
(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0(4,6])dodecane;
(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane;
5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-

In Other Databases

ChemSpider 1379451
ChEMBL CHEMBL508894
PubChem 1742210
KEGG C16908
ChEBI CHEBI:67818
Cayman 21573