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Abiraterone acetate
SpectraBase Compound ID G6ehQhP9MZw
InChI InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
InChIKey UVIQSJCZCSLXRZ-UBUQANBQSA-N
Mol Weight 391.6 g/mol
Molecular Formula C26H33NO2
Exact Mass 391.251129 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID L6fmTKnqHLw
Name Abiraterone acetate
Source of Sample Cayman Chemical Company
Catalog Number 15148
Lot Number 0466300-14
Accessory DurasamplIR II
CAS Registry Number 154229-18-2
Classification blocks CYP17A1 by potently inhibiting both the 17α-hydroxylase and the 17,20 lyase activities
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Formula C26H33NO2
InChI InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
InChIKey UVIQSJCZCSLXRZ-UBUQANBQSA-N
Instrument Name Bio-Rad FTS
Sample Description crystalline solid
Source of Spectrum Forensic Spectral Research
Synonyms (3β)-17-(3-Pyridinyl)-androsta-5,16-dien-3-ol, acetate ester
Technique ATR-Neat (DuraSamplIR II)