Alkaloids

Aconine

乌头原碱

PHY-NP-09184 · Natural product research catalog

Catalog number	PHY-NP-09184
CAS number	509-20-6
Molecular formula	C₂₅H₄₁NO₉
Molecular weight	499.601 g/mol
Chemical class	Alkaloids
Main reported source	Aconitum carmichaeli
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Aconine 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.

IUPAC name	(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
SMILES	CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
InChIKey	SQMGCPHFHQGPIF-JIOYIOPFSA-N
Subclass / scaffold	Pseudoalkaloids：Terpenoid alkaloids
PubChem CID	20054813

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

View additional properties & classification

Ring count	6
Aromatic rings	0
Fraction Csp³	1.0
Synthetic accessibility score	7.48
QED score	0.285
Lipinski rule violations	0
NPClassifier pathway	Alkaloids；Terpenoids
NPClassifier superclass	Pseudoalkaloids
NPClassifier class	Terpenoid alkaloids
Parent SMILES	CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@]1(O)[C@H]2[C@@H](O)[C@](O)(C[C@H]24)[C@@H](OC)[C@@H]1O
Parent formula	C₂₅H₄₁NO₉
Parent molecular weight	499.601
Specified stereocenters	14
Unspecified stereocenters	1

Main reported source	Aconitum carmichaeli
Reported source families	Ranunculaceae; Euglenidae; Hominidae

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

View occurrence records & references

LOTUS / Wikidata species	Aconitum carmichaeli[1]; Aconitum carmichaelii[1]; Aconitum pendulum[1]; Euglena gracilis[1]; Homo sapiens[1]
All reported source families	Ranunculaceae[4]; Euglenidae[1]; Hominidae[1]
Genus / family records	Aconitum[1]
LOTUS species records	5
LOTUS reference records	5
COCONUT occurrence records	Aconitum anthora L.; Aconitum brachypodum; Aconitum carmichaelii; Aconitum carmichaelii Debeaux; Aconitum japonicum; Aconitum napellus aggr. (A. compactum (Rchb.) Gayer and A. neomontanum Wulfen); Aconitum pendulum; Aconitum variegatum L. s.l. (A. variegatum L. s.str., A. variegatum subsp. rostratum (DC.) Gayer and A. variegatum subsp. paniculatum (Arcang.) Negodi); Aconitum vulparia aggr. (A. altissimum Mill., A. lamarckii Rchb., A. penninum (Ser.) Gayer and A. x platanifolium Degen & Gayer); Homo sapiens
COCONUT organism records	10
COCONUT identifier	CNP0372740.5

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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