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Alkaloids

Imperialine

西贝母碱

PHY-NP-10575 · Natural product research catalog

Catalog numberPHY-NP-10575
CAS number61825-98-7
Molecular formulaC27H43NO3
Molecular weight429.645 g/mol
Chemical classAlkaloids
Main reported sourceFritillaria cirrhosa
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Imperialine

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Product information

Imperialine 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(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
SMILESC[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O
InChIKeyIQDIERHFZVCNRZ-LRCDAWNTSA-N
Subclass / scaffold甾体生物碱
PubChem CID442977

Computed properties

Exact mass (Da)429.3243Predicted LogP3.8863
Predicted TPSA (Ų)60.77H-bond donors2
H-bond acceptors4Rotatable bonds0

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

View additional properties & classification
Ring count6
Aromatic rings0
Fraction Csp³0.963
Synthetic accessibility score5.01
QED score0.613
Lipinski rule violations0
NPClassifier pathwayAlkaloids;Terpenoids
NPClassifier superclassPseudoalkaloids
NPClassifier classSteroidal alkaloids
Parent SMILESC[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O
Parent formulaC27H43NO3
Parent molecular weight429.645
Specified stereocenters12
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceFritillaria cirrhosa
Reported source familiesLiliaceae

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

View occurrence records & references
LOTUS / Wikidata speciesFritillaria cirrhosa[5]; Fritillaria delavayi[3]; Fritillaria imperialis[3]; Fritillaria pallidiflora[3]; Fritillaria eduardi[2]; Fritillaria thunbergii[2]; Fritillaria walujewii[2]; Fritillaria bucharica[1]; Fritillaria raddeana[1]; Fritillaria taipaiensis[1]; Fritillaria tortifolia[1]; Fritillaria unibracteata var. wabuensis[1]; Fritillaria yuminensis[1]
All reported source familiesLiliaceae[13]
Genus / family recordsLiliaceae[1]
LOTUS species records13
LOTUS reference records21
COCONUT occurrence recordsAcacia trineura; Agaricus albus; Angelica taiwaniana; Boletinus cavipes; Bulbus fritillariae; Caragana stenophylla; Cenchrus setaceus; Choristoneura rosaceana; Conoideocrella tenuis; Diospyros lotus; Fomitopsis spraguei; Fritillaria bucharica; Fritillaria cirrhosa; Fritillaria delavayi; Fritillaria eduardi; Fritillaria imperialis; Fritillaria imperialis L.; Fritillaria meleagris; Fritillaria meleagris L.; Fritillaria pallidiflora; Fritillaria prezewalskii; Fritillaria proylei; Fritillaria przewalskii; Fritillaria raddeana; Fritillaria sp.; Fritillaria taipaiensis; Fritillaria taipaiensis var. ningxiaensis; Fritillaria thunbergii; Fritillaria tortifolia; Fritillaria unibracteata
COCONUT organism records54
COCONUT identifierCNP0264788.6

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.