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Phenanthrenes

5-Ethenyl-1-methyl-2,7-phenanthrenediol

去氢厄弗酚

PHY-NP-14953 · Natural product research catalog

Catalog numberPHY-NP-14953
CAS number137319-34-7
Molecular formulaC17H14O2
Molecular weight250.297 g/mol
Chemical classPhenanthrenes
Main reported sourceJuncus effusus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 5-Ethenyl-1-methyl-2,7-phenanthrenediol

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PackPrice (USD)AvailabilityLead time
5 mgRequest quoteTo be confirmedConfirm in quotation
10 mgRequest quoteTo be confirmedConfirm in quotation
20 mgRequest quoteTo be confirmedConfirm in quotation
50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

5-Ethenyl-1-methyl-2,7-phenanthrenediol is listed in the Phenanthrenes 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 name5-ethenyl-1-methylphenanthrene-2,7-diol
SMILESCC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O
InChIKeyGSSPKCPIRDPBQE-UHFFFAOYSA-N
Subclass / scaffoldPhenanthrenes
PubChem CID5316810

Computed properties

Exact mass (Da)250.0994Predicted LogP4.3556
Predicted TPSA (Ų)40.46H-bond donors2
H-bond acceptors2Rotatable bonds1

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.059
Synthetic accessibility score2.62
QED score0.63
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassPhenanthrenoids
NPClassifier classPhenanthrenes
Parent SMILESC=Cc1cc(O)cc2ccc3c(C)c(O)ccc3c12
Parent formulaC17H14O2
Parent molecular weight250.297
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceJuncus effusus
Reported source familiesJuncaceae

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

View occurrence records & references
LOTUS / Wikidata speciesJuncus effusus[4]; Juncus acutus[1]; Juncus setchuensis[1]
All reported source familiesJuncaceae[3]
LOTUS species records3
LOTUS reference records6
COCONUT occurrence recordsJuncus Effusus; Juncus acutus; Juncus effusus; Juncus setchuensis
COCONUT organism records4
COCONUT identifierCNP0205360.0

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.