Apocarotenoids

beta-Ionone epoxide

4-[2,2,6-三甲基-7-氧杂二环[4.1.0]庚-1-基]-3-丁烯-2-酮

PHY-NP-16290 · Natural product research catalog

Catalog number	PHY-NP-16290
CAS number	23267-57-4
Molecular formula	C₁₃H₂₀O₂
Molecular weight	208.301 g/mol
Chemical class	Apocarotenoids
Main reported source	Camellia sinensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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beta-Ionone epoxide is listed in the Apocarotenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
SMILES	CC(=O)/C=C/C12C(CCCC1(O2)C)(C)C
InChIKey	ZTJZJYUGOJYHCU-RMKNXTFCSA-N
Subclass / scaffold	Apocarotenoids (β-)
PubChem CID	5352481

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	2
Aromatic rings	0
Fraction Csp³	0.769
Synthetic accessibility score	3.98
QED score	0.516
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Apocarotenoids
NPClassifier class	Apocarotenoids (β-)
Parent SMILES	CC(=O)/C=C/C12OC1(C)CCCC2(C)C
Parent formula	C₁₃H₂₀O₂
Parent molecular weight	208.301
Specified stereocenters	0
Unspecified stereocenters	2

Main reported source	Camellia sinensis
Reported source families	Solanaceae; Theaceae; Ceratophyllaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Camellia sinensis[1]; Ceratophyllum demersum[1]; Nicotiana tabacum[1]; tomato[1]
All reported source families	Solanaceae[2]; Theaceae[1]; Ceratophyllaceae[1]; Flavobacteriaceae[1]
Genus / family records	Flavobacterium[1]
LOTUS species records	4
LOTUS reference records	5
COCONUT occurrence records	Camellia sinensis; Ceratophyllum demersum; Craibiodendron yunnanese; Crocus sativus; Flavobacterium; Flavobacterium aRK10267; Nelumbo nucifera; Nicotiana tabacum; Phormidium sp.; tomato
COCONUT organism records	10
COCONUT identifier	CNP0197012.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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