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Meroterpenoids

beta-Tocotrienol

(-)-β生育三烯酚

PHY-NP-06410 · Natural product research catalog

Catalog numberPHY-NP-06410
CAS number490-23-3
Molecular formulaC28H42O2
Molecular weight410.642 g/mol
Chemical classMeroterpenoids
Main reported sourceOryza molida
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of beta-Tocotrienol

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Product information

beta-Tocotrienol is listed in the Meroterpenoids 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(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
SMILESCC1=CC(=C(C2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O
InChIKeyFGYKUFVNYVMTAM-WAZJVIJMSA-N
Subclass / scaffoldPrenyl quinone meroterpenoids
PubChem CID5282348

Computed properties

Exact mass (Da)410.3185Predicted LogP8.2921
Predicted TPSA (Ų)29.46H-bond donors1
H-bond acceptors2Rotatable bonds9

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

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.571
Synthetic accessibility score3.65
QED score0.415
Lipinski rule violations1
NPClassifier pathwayTerpenoids
NPClassifier superclassMeroterpenoids
NPClassifier classPrenyl quinone meroterpenoids
Parent SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
Parent formulaC28H42O2
Parent molecular weight410.642
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceOryza molida
Reported source familiesAmaranthaceae; Poaceae; Elaeagnaceae

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

View occurrence records & references
LOTUS / Wikidata speciesOryza molida[2]; Amaranthus cruentus[1]; Amaranthus hybridus[1]; Amaranthus hypochondriacus[1]; Hippophae rhamnoides[1]
All reported source familiesAmaranthaceae[3]; Poaceae[1]; Elaeagnaceae[1]
LOTUS species records5
LOTUS reference records4
COCONUT occurrence recordsAmaranthus cruentus; Amaranthus hybridus; Amaranthus hypochondriacus; Amaranthus hypochondriacus L.; Avena sativa L.; Bixa Orellana; Bixa orellana L.; Carum carvi L.; Cocos Nucifera; Cocos nucifera L.; Delphinium Ajacis; Delphinium ajacis L.; Elaeis Guineensis; Elaeis guineensis Jacq.; Foeniculum Vulgare; Foeniculum vulgare L.; Hippophae rhamnoides; Hordeum Vulgare; Hordeum vulgare L.; Nicotiana Tabacum; Nicotiana tabacum L.; Oryza Sativa; Oryza sativa; Oryza sativa L.; Rosmarinus Officinalis; Rosmarinus officinalis L.; Secale cereale L.; Sesamum orientale; Vaccinium macrocarpon Aiton; Vitis Vinifera
COCONUT organism records33
COCONUT identifierCNP0283868.1

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

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.