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5β-Pregnan-3,12,20-trione
SpectraBase Compound ID 6HUt5l44ZVI
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-VERFWHLFSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID K70lEWLRxw7
Name 5β-Pregnan-3,12,20-trione
Source of Sample Steraloids Inc.
Catalog Number Q0550-000
Lot Number 4943
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-VERFWHLFSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 330.468 g/mol
SMILES C1[C@@]2(C3CC([C@@]4(C(CCC4C3CC[C@@]2(CC(C1)=O)[H])C(=O)C)C)=O)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 KBr0