Tetraterpenoids

Spheroidenone

球状菌素

PHY-NP-04610 · Natural product research catalog

Catalog number	PHY-NP-04610
CAS number	13836-70-9
Molecular formula	C₄₁H₅₈O₂
Molecular weight	582.913 g/mol
Chemical class	Tetraterpenoids
Main reported source	Gelliodes callista
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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Spheroidenone 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.

IUPAC name	(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one
SMILES	CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)OC)/C)/C)/C)C
InChIKey	ZQFURSYWJPLAJR-FZFXUSNISA-N
Subclass / scaffold	Carotenoids (C40, Ψ-Ψ)
PubChem CID	5366412

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

View additional properties & classification

Ring count	0
Aromatic rings	0
Fraction Csp³	0.39
Synthetic accessibility score	3.98
QED score	0.091
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Carotenoids (C40)
NPClassifier class	Carotenoids (C40, Ψ-Ψ)
Parent SMILES	COC(C)(C)C(=O)/C=C/C(C)=C/C=C/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 formula	C₄₁H₅₈O₂
Parent molecular weight	582.913
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Gelliodes callista
Reported source families	Erwiniaceae; Paracoccaceae; Erythrobacteraceae

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

View occurrence records & references

LOTUS / Wikidata species	Gelliodes callista[1]; Pantoea agglomerans[1]; Pantoea ananatis[1]; Rhodobacter capsulatus[1]; Rhodobacter sphaeroides[1]; Rhodospirillum rubrum[1]; Roseobacter denitrificans[1]; Rubrivivax gelatinosus[1]; Streptomyces griseus[1]
All reported source families	Erwiniaceae[2]; Paracoccaceae[2]; Erythrobacteraceae[1]; Flavobacteriaceae[1]; Niphatidae[1]; Rhodospirillaceae[1]
Genus / family records	Erythrobacter[1]; Flavobacterium[1]
LOTUS species records	9
LOTUS reference records	11
COCONUT occurrence records	Agrobacterium aurantiacum; Erwinia herbicola strain Eho10; Erwinia herbicola strain Eho13; Erwinia uredovora; Erythrobacter; Erythrobacter sp.; Flavobacterium; Flavobacterium sp. Strain R1534; Gelliodes callista; Myxococcus xanthus; Pantoea agglomerans; Pantoea ananatis; Rhodobaca bogoriensis; Rhodobacter capsulatus; Rhodobacter sphaeroides; Rhodospirillum rubrum; Roseobacter denitrificans; Rubrivivax gelatinosus; Streptomyces griseus
COCONUT organism records	19
COCONUT identifier	CNP0190521.1

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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