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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GiTZXkSsz6
Name 5β-pregnan-3,12,20-trione
Source of Sample Steraloids Inc.
Catalog Number Q0550-000
Classification progesterone type
Compound Type Pure
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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
Melting Point 198.0 - 200.0 °C
Molecular Weight 330.468 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Source of Spectrum Forensic Spectral Research
Technique FT-Raman