Apocarotenoids

Cucumegastigmane I

PHY-NP-16318 · Natural product research catalog

Catalog number	PHY-NP-16318
CAS number	929881-46-9
Molecular formula	C₁₃H₂₀O₄
Molecular weight	240.299 g/mol
Chemical class	Apocarotenoids
Main reported source	Brucea javanica
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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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Cucumegastigmane I 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	(4S)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
SMILES	CC1=CC(=O)CC([C@]1(/C=C/[C@@H](CO)O)O)(C)C
InChIKey	CNLCQYMRNGWEJB-OERKHBLVSA-N
Subclass / scaffold	Apocarotenoids(ε-)
PubChem CID	16105430

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

View additional properties & classification

Ring count	1
Aromatic rings	0
Fraction Csp³	0.615
Synthetic accessibility score	4.24
QED score	0.63
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Apocarotenoids
NPClassifier class	Apocarotenoids(ε-)
Parent SMILES	CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO
Parent formula	C₁₃H₂₀O₄
Parent molecular weight	240.299
Specified stereocenters	2
Unspecified stereocenters	0

Main reported source	Brucea javanica
Reported source families	Cucurbitaceae; Simaroubaceae

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

View occurrence records & references

LOTUS / Wikidata species	Brucea javanica[1]; Cucumis sativus[1]; Cucumis sativus var. sativus[1]
All reported source families	Cucurbitaceae[2]; Simaroubaceae[1]
LOTUS species records	3
LOTUS reference records	3
COCONUT occurrence records	Annona glabra; Brucea javanica; Cucumis Sativus; Cucumis sativus; Cucumis sativus L.; Cucumis sativus var. sativus
COCONUT organism records	6
COCONUT identifier	CNP0320754.1

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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