Alkaloids

Methyl (1'R,3S,4'aS,5'aS,10'aR)-1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxospiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylate

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PHY-NP-09748 · Natural product research catalog

Catalog number	PHY-NP-09748
CAS number	6899-73-6
Molecular formula	C₂₁H₂₄N₂O₄
Molecular weight	368.433 g/mol
Chemical class	Alkaloids
Main reported source	Uncaria elliptica
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

Methyl (1'R,3S,4'aS,5'aS,10'aR)-1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxospiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylate 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	methyl (1R,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SMILES	C[C@@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChIKey	JMIAZDVHNCCPDM-DQDWJNSRSA-N
Subclass / scaffold	Tryptophan alkaloids：Corynanthe type Simple indole alkaloids
PubChem CID	188999

Computed properties

Exact mass (Da)	368.1736	Predicted LogP	2.0625
Predicted TPSA (Å²)	67.87	H-bond donors	1
H-bond acceptors	5	Rotatable bonds	1

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

View additional properties & classification

Ring count	5
Aromatic rings	1
Fraction Csp³	0.524
Synthetic accessibility score	4.71
QED score	0.769
Lipinski rule violations	0
NPClassifier pathway	Alkaloids
NPClassifier superclass	Tryptophan alkaloids
NPClassifier class	Corynanthe type；Simple indole alkaloids
Parent SMILES	COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12
Parent formula	C₂₁H₂₄N₂O₄
Parent molecular weight	368.433
Specified stereocenters	5
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Uncaria elliptica
Reported source families	Rubiaceae

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

View occurrence records & references

LOTUS / Wikidata species	Uncaria elliptica[2]; Uncaria hirsuta[2]; Uncaria attenuata[1]; Uncaria longiflora[1]; Uncaria perrottetii[1]; Uncaria tomentosa[1]
All reported source families	Rubiaceae[7]
Genus / family records	Uncaria[1]
LOTUS species records	6
LOTUS reference records	9
COCONUT occurrence records	Ourouparia formosana; Uncaria; Uncaria attenuata; Uncaria elliptica; Uncaria elliptica R.Br.ex G.Don.; Uncaria hirsuta; Uncaria longiflora; Uncaria perrottetii; Uncaria tomentosa
COCONUT organism records	9
COCONUT identifier	CNP0159273.5

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 / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.