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Alkaloids

Hypaconine

次乌头原碱

PHY-NP-09235 · Natural product research catalog

Catalog numberPHY-NP-09235
CAS number63238-68-6
Molecular formulaC24H39NO8
Molecular weight469.575 g/mol
Chemical classAlkaloids
Main reported sourceAconitum carmichaelii
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Hypaconine

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Product information

Hypaconine 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

IUPAC name(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8-tetrol
SMILESCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC
InChIKeyBQTYHFZQSAKNQU-JBHPJWCOSA-N
Subclass / scaffoldPseudoalkaloids:Terpenoid alkaloids
PubChem CID123132014

Computed properties

Exact mass (Da)469.2676Predicted LogP-1.1483
Predicted TPSA (Ų)121.08H-bond donors4
H-bond acceptors9Rotatable bonds5

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

View additional properties & classification
Ring count6
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score7.43
QED score0.396
Lipinski rule violations0
NPClassifier pathwayAlkaloids;Terpenoids
NPClassifier superclassPseudoalkaloids
NPClassifier classTerpenoid alkaloids
Parent SMILESCOC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](O)[C@@H]5[C@@](O)([C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@@H](O)[C@@H]6OC
Parent formulaC24H39NO8
Parent molecular weight469.575
Specified stereocenters14
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAconitum carmichaelii

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsAconitum carmichaelii; Aconitum japonicum
COCONUT organism records2
COCONUT identifierCNP0086002.1

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.