Results for:
PubChem ID: 5352481

(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

Compound Details

Synonymous names
beta-Ionone epoxide
23267-57-4
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
.beta.-Ionon-5,6-epoxide
5,6-Epoxy-beta-ionone
(5R,6S)-5,6-Epoxy-7-megastigmen-9-one
4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
.beta.-Ionone epoxide
beta-ionone 5,6-epoxide
Epoxy-.beta.-ionone
5,6-Epoxy-.beta.-ionone
.beta.-Ionone-5,6-epoxide
.beta.-Ionone-5,6-epoxyde
5,6-.beta.-Ionone epoxide
SCHEMBL1774698
CHEMBL3355912
SCHEMBL17627686
CHEBI:87546
CHEBI:208937
7-Oxabicyclo[4.1.0]heptane, 3-buten-2-one deriv.
(e)-4-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
4-(1',2'-epoxy-2',6',6'-trimethyl-2'-cyclohex-1'-yl)-3-buten-2-one
(3E)-4-{2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPTAN-1-YL}BUT-3-EN-2-ONE
Microorganism:

Yes

IUPAC name(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
SMILESCC(=O)C=CC12C(CCCC1(O2)C)(C)C
InchiInChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
FormulaC13H20O2
PubChem ID5352481
Molweight208.3
LogP2
Atoms15
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes epoxides heterocyclic compounds ethers ketones
CHEBI-ID208937
Supernatural-IDSN0479774-01

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno