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5β-Pregnan-3,12,20-trione
SpectraBase Compound ID 15POsByxvPH
InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-18H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,20+,21-/m1/s1
InChIKey PCTFUNUQNHEEEB-RYIDSSIKSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 89z1X62bkxg
Name 5β-pregnan-3,12,20-trione
Source of Sample Steraloids Inc.
Catalog Number Q0550-000
Lot Number 4943
Accessory DurasamplIR II
Classification progesterone type
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-18H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,20+,21-/m1/s1
InChIKey PCTFUNUQNHEEEB-RYIDSSIKSA-N
Instrument Name Bio-Rad FTS
Melting Point 198.0 - 200.0 °C
Source of Spectrum Forensic Spectral Research
Synonyms (5R,8S,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,4H)-dione
Technique ATR-Neat (DuraSamplIR II)