Alkaloids

Methyllycaconitine citrate

柠檬酸甲基牛扁碱

PHY-NP-09252 · Natural product research catalog

Catalog number	PHY-NP-09252
CAS number	112825-05-5
Molecular formula	C₄₃H₅₈N₂O₁₇
Molecular weight	874.934 g/mol
Chemical class	Alkaloids
Main reported source	Delphinium elatum
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
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

Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.

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Methyllycaconitine citrate 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.

SMILES	CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChIKey	XLTANAWLDBYGFU-NVHLIWNBSA-N
Subclass / scaffold	Pseudoalkaloids：Terpenoid alkaloids
PubChem CID	132427696

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

View additional properties & classification

Ring count	8
Aromatic rings	1
Fraction Csp³	0.757
Synthetic accessibility score	7.26
QED score	0.292
Lipinski rule violations	2
NPClassifier pathway	Alkaloids；Terpenoids
NPClassifier superclass	Pseudoalkaloids
NPClassifier class	Terpenoid alkaloids
Parent SMILES	CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)C34C1C(O)([C@@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
Parent formula	C₃₇H₅₀N₂O₁₀
Parent molecular weight	682.811
Specified stereocenters	11
Unspecified stereocenters	3

Main reported source	Delphinium elatum

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Delphinium elatum; Delphinium oreophilum; Inula royleana
COCONUT organism records	3
COCONUT identifier	CNP0301425.7

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

Request applicable documentation and handling information before ordering or use.