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Sesquiterpenoids

(-)-Cyperene

香附子烯

PHY-NP-03918 · Natural product research catalog

Catalog numberPHY-NP-03918
CAS number2387-78-2
Molecular formulaC15H24
Molecular weight204.357 g/mol
Chemical classSesquiterpenoids
Main reported sourceCyperus rotundus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of (-)-Cyperene

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Product information

(-)-Cyperene 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(1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
SMILESC[C@@H]1CC[C@@H]2CC3=C(CC[C@]13C2(C)C)C
InChIKeyRTBLDXVIGWSICW-JMSVASOKSA-N
Subclass / scaffoldPatchoulane sesquiterpenoids
PubChem CID12308843

Computed properties

Exact mass (Da)204.1878Predicted LogP4.5591
Predicted TPSA (Ų)0.0H-bond donors0
H-bond acceptors0Rotatable bonds0

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

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³0.867
Synthetic accessibility score5.32
QED score0.507
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassSesquiterpenoids
NPClassifier classPatchoulane sesquiterpenoids
Parent SMILESCC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C
Parent formulaC15H24
Parent molecular weight204.357
Specified stereocenters3
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCyperus rotundus
Reported source familiesAsteraceae; Annonaceae; Cyperaceae

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

View occurrence records & references
LOTUS / Wikidata speciesCyperus rotundus[5]; Cyperus alopecuroides[2]; Acourtia carpholepis[1]; Acourtia longifolia[1]; Aframomum melegueta[1]; Aniba puchury-minor[1]; Arctium lappa[1]; Artabotrys lastoursvillensis[1]; Athanasia linifolia[1]; Centaurea oltensis[1]; Centaurea sessilis[1]; Cirsium dipsacolepis[1]; Cleistopholis patens[1]; Commiphora africana[1]; Copaifera langsdorffii[1]
All reported source familiesAsteraceae[15]; Annonaceae[8]; Cyperaceae[3]; Fabaceae[3]; Euphorbiaceae[2]; Piperaceae[2]
Genus / family recordsLigularia[1]
LOTUS species records35
LOTUS reference records37
COCONUT occurrence recordsAcourtia carpholepis; Acourtia longifolia; Adenocarpus foliolosus; Aframomum melegueta; Aniba puchury-minor; Anthoxanthum nitens; Antillogorgia elisabethae; Arctium lappa; Artabotrys lastoursvillensis; Athanasia linifolia; Atractylodes chinensis; Atractylodes lancea; Betula exilis; Centaurea oltensis; Centaurea sessilis; Cereus dumortieri; Chromolaena arnottiana; Cirsium dipsacolepis; Cleistopholis patens; Clethra macrophylla; Commiphora africana; Copaifera langsdorffii; Copaifera langsdorfii; Critonia hebebotrya; Croton dichogamus; Croton sonderianus; Cyperus Rotundus; Cyperus alopecuroides; Cyperus erectus; Cyperus haspan
COCONUT organism records72
COCONUT identifierCNP0153849.4

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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