Products 1868064-50-9

CAS 1868064-50-9 appears in our catalog under these names: Abiraterone Impurity 43, Abiraterone Acetate 5,6-Epoxide. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg.

Structural formula: {0} (CAS {1})

[(1S,2R,5S,7R,9S,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl] acetate (CAS 1868064-50-9) is a chemical compound with the molecular formula C26H33NO3 and a molecular weight of 407.5 g/mol. IUPAC name: [(1S,2R,5S,7R,9S,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl] acetate. InChIKey: HIXCRYBQWBGPEX-MWPMRTMJSA-N.

Identity
Molecular formulaC26H33NO3
Molecular weight407.5 g/mol
IUPAC name[(1S,2R,5S,7R,9S,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl] acetate
InChIKeyHIXCRYBQWBGPEX-MWPMRTMJSA-N
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]5[C@]2(C1)O5)CC=C4C6=CN=CC=C6)C)C

Computed by PubChem (NCBI)