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Alkaloids

Calyciphylline A

Calyciphylline A

PHY-NP-09198 · Natural product research catalog

Catalog numberPHY-NP-09198
CAS number596799-30-3
Molecular formulaC23H31NO4
Molecular weight385.504 g/mol
Chemical classAlkaloids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Calyciphylline A

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Product information

Calyciphylline A is listed in the Alkaloids 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

SMILESC[C@@H]1C[N+]2(C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C[C@]56[C@]3([C@H]2C[C@H]1C6=O)C)C(=O)OC)[O-]
InChIKeyDLTJWHRTAHFESH-IGJFRSLJSA-N
Subclass / scaffoldPseudoalkaloids:Terpenoid alkaloids
PubChem CID10861970

Computed properties

Exact mass (Da)385.2253Predicted LogP3.2241
Predicted TPSA (Ų)66.43H-bond donors0
H-bond acceptors4Rotatable bonds1

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

View additional properties & classification
Ring count6
Aromatic rings0
Fraction Csp³0.826
Synthetic accessibility score6.77
QED score0.301
Lipinski rule violations0
NPClassifier pathwayAlkaloids;Terpenoids
NPClassifier superclassPseudoalkaloids
NPClassifier classTerpenoid alkaloids
Parent SMILESCOC(=O)[C@@H]1C[C@]23C(=O)[C@@H]4C[C@@H]5[C@@]2(C)[C@H](CCC2=C3[C@@H]1CC2)C[N+]5([O-])C[C@H]4C
Parent formulaC23H31NO4
Parent molecular weight385.504
Specified stereocenters8
Unspecified stereocenters1

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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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