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Sesquiterpenoids

Pterosin L

蕨素L

PHY-NP-03894 · Natural product research catalog

Catalog numberPHY-NP-03894
CAS number41411-04-5
Molecular formulaC15H20O4
Molecular weight264.321 g/mol
Chemical classSesquiterpenoids
Main reported sourceMicrolepia speluncae
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pterosin L

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Product information

Pterosin L is listed in the Sesquiterpenoids 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,3S)-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
SMILESCC1=CC2=C(C(=C1CCO)C)C(=O)[C@]([C@@H]2O)(C)CO
InChIKeyOOAFRMHKOSBPID-UKRRQHHQSA-N
Subclass / scaffoldIlludalane sesquiterpenoids
PubChem CID148421

Computed properties

Exact mass (Da)264.1362Predicted LogP1.0665
Predicted TPSA (Ų)77.76H-bond donors3
H-bond acceptors4Rotatable bonds3

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

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.533
Synthetic accessibility score3.86
QED score0.763
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassSesquiterpenoids
NPClassifier classIlludalane sesquiterpenoids
Parent SMILESCc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)[C@@H]2O
Parent formulaC15H20O4
Parent molecular weight264.321
Specified stereocenters2
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceMicrolepia speluncae
Reported source familiesDennstaedtiaceae

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

View occurrence records & references
LOTUS / Wikidata speciesMicrolepia speluncae[1]; Microlepia strigosa[1]
All reported source familiesDennstaedtiaceae[2]
LOTUS species records2
LOTUS reference records1
COCONUT occurrence recordsAjuga lupulina; Artemisia lactiflora; Astragalus quisqualis; Attalea excelsa; Calystegia hederacea; Catalpa ovata; Citrus hassaku; Coutarea latifolia; Crepidiastrum sonchifolium; Dipsacus asper; Duguetia calycina; Epirrhoe sperryi; Eriostemon spicatus; Garcinia pyrifera; Greenwayodendron oliveri; Hymenothrix wislizenii; Ipomoea hederifolia; Jacaranda chelonia; Microlepia speluncae; Microlepia strigosa; Ophryosporus floribundus; Payena lucida; Phalaris canariensis; Plumbagella micrantha; Populus sieboldii; Pteridium aquilinum; Pteris cretica; Purshia tridentata; Raspailia agminata; Rivina humilis
COCONUT organism records34
COCONUT identifierCNP0296996.2

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

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