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Chemical structure of Abiraterone Acetate
Steroids

Abiraterone Acetate

醋酸阿比特龙

PHY-NP-10643 · Natural product research catalog

Catalog numberPHY-NP-10643
CAS number154229-18-2
Molecular formulaC26H33NO2
Molecular weight391.555 g/mol
Chemical classSteroids
Purity / assayConfirmed in quotation and batch COA

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Product information

Abiraterone Acetate 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,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
InChIKeyUVIQSJCZCSLXRZ-UBUQANBQSA-N
Subclass / scaffoldAndrostane steroids
PubChem CID9821849

Computed properties & structure classification

Exact mass (Da)391.2511Predicted LogP5.9694
Predicted TPSA (Ų)39.19H-bond donors0
H-bond acceptors3Rotatable bonds2
Ring count5Aromatic rings1
Fraction Csp³0.615Synthetic accessibility score4.13
QED score0.46Lipinski rule violations1
NPClassifier pathwayTerpenoidsNPClassifier superclassSteroids
NPClassifier classAndrostane steroidsParent SMILESCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1
Parent formulaC26H33NO2Parent molecular weight391.555
Specified stereocenters6Unspecified stereocenters0

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

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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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