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Chemical structure of ζ-CAROTENE
Tetraterpenoids

ζ-CAROTENE

ζ-胡萝卜素

PHY-NP-04604 · Natural product research catalog

Catalog numberPHY-NP-04604
CAS number72746-33-9
Molecular formulaC40H60
Molecular weight540.92 g/mol
Chemical classTetraterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

ζ-CAROTENE is listed in the Tetraterpenoids 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.

Names & identifiers

IUPAC name(6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
SMILESCC(C)=CCC/C(C)=C/CC\C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIKeyBIWLELKAFXRPDE-ZURBLSRNSA-N
Subclass / scaffoldCarotenoids (C40, Ψ-Ψ)
PubChem CID6440490

Computed properties & structure classification

Exact mass (Da)540.4695Predicted LogP13.386
Predicted TPSA (Ų)0.0H-bond donors0
H-bond acceptors0Rotatable bonds18
Ring count0Aromatic rings0
Fraction Csp³0.45Synthetic accessibility score3.48
QED score0.12Lipinski rule violations2
NPClassifier pathwayTerpenoidsNPClassifier superclassCarotenoids (C40)
NPClassifier classCarotenoids (C40, Ψ-Ψ)Parent SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C)CC/C=C(\C)CCC=C(C)C
Parent formulaC40H60Parent molecular weight540.92
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceAronia melanocarpa
LOTUS / Wikidata speciesAronia melanocarpa(野樱莓)[1];Rosa canina(犬蔷薇)[1];Rosa rugosa(玫瑰)[1];tomato(番茄)[1]
Source familiesRosaceae[3];Solanaceae[1]
LOTUS species records4
LOTUS reference records2
COCONUT occurrence recordsAronia melanocarpa;Daucus Carota;Rosa canina;Rosa rugosa;Zea Mays;Zea mays;tomato
COCONUT organism records7
COCONUT identifierCNP0164450.2

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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