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Chemical structure of Cynanchogenin
Steroids

Cynanchogenin

青阳参皂苷元

PHY-NP-11303 · Natural product research catalog

Catalog numberPHY-NP-11303
CAS number6870-10-6
Molecular formulaC28H42O6
Molecular weight474.638 g/mol
Chemical classSteroids
Purity / assayConfirmed in quotation and batch COA

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Product information

Cynanchogenin is listed in the Steroids 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[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate
SMILESCC(C)C(=CC(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@@H](CC3=CC[C@]2([C@@]4([C@]1([C@@H](CC4)C(=O)C)C)O)O)O)C)C
InChIKeySZUXICHIYZJLOY-XYCCFREGSA-N
Subclass / scaffoldPregnane steroids
PubChem CID90479167

Computed properties & structure classification

Exact mass (Da)474.2981Predicted LogP3.8691
Predicted TPSA (Ų)104.06H-bond donors3
H-bond acceptors6Rotatable bonds4
Ring count4Aromatic rings0
Fraction Csp³0.786Synthetic accessibility score5.01
QED score0.325Lipinski rule violations0
NPClassifier pathwayTerpenoidsNPClassifier superclassSteroids
NPClassifier classPregnane steroidsParent SMILESCC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)C=C(C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
Parent formulaC28H42O6Parent molecular weight474.638
Specified stereocenters8Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceAraujia sericifera
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsAraujia sericifera;Cynanchum caudatum Max.
COCONUT organism records2
COCONUT identifierCNP0241249.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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