Triterpenoids

Actein

黄肉楠碱

PHY-NP-00251 · Natural product research catalog

Catalog number	PHY-NP-00251
CAS number	18642-44-9
Molecular formula	C₃₇H₅₆O₁₁
Molecular weight	676.844 g/mol
Chemical class	Triterpenoids
Main reported source	Actaea racemosa
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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

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Actein is listed in the Triterpenoids 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,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
SMILES	C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
InChIKey	NEWMWGLPJQHSSQ-PSDKAYTQSA-N
Subclass / scaffold	Cycloartane triterpenoids；皂苷/苷
PubChem CID	10032468

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

View additional properties & classification

Ring count	9
Aromatic rings	0
Fraction Csp³	0.973
Synthetic accessibility score	7.05
QED score	0.198
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Cycloartane triterpenoids
Parent SMILES	CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@@H]41
Parent formula	C₃₇H₅₆O₁₁
Parent molecular weight	676.844
Specified stereocenters	19
Unspecified stereocenters	0

Main reported source	Actaea racemosa
Reported source families	Ranunculaceae

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

View occurrence records & references

LOTUS / Wikidata species	Actaea racemosa[16]; Actaea elata[4]; Actaea simplex[1]; Cimicifuga simplex[1]
All reported source families	Ranunculaceae[4]
LOTUS species records	4
LOTUS reference records	21
COCONUT occurrence records	Actaea dahurica; Actaea elata; Actaea heracleifolia; Actaea racemosa; Actaea simplex; Actea racemosa; Cimicifuga foetida; Cimicifuga racemosa; Cimicifuga simplex; Cimicifuga sp.
COCONUT organism records	10
COCONUT identifier	CNP0207711.2

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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