R0500

Reichstein′s substance S

≥98% purity, powder

• Synonym(s): 11-Deoxy-17-hydroxycorticosterone, 11-Deoxycortisol, 17α,21-Dihydroxy-4-pregnene-3,20-dione, 17α-Hydroxycortexone, 17,21-Dihydroxy-4-pregnene-3,20-dione, 17,21-Dihydroxyprogesterone, 4-Pregnene-17α,21-diol-3,20-dione, Cortexolone, Reichstein’s Compound S
• Empirical Formula (Hill Notation): C₂₁H₃₀O₄
• CAS Number: 152-58-9
• Molecular Weight: 346.46
• EC Number: 205-805-2
• MDL number: MFCD00003662
• UNSPSC Code: 12171500
• PubChem Substance ID: 24278671
• NACRES: NA.47

Properties

• product name: Reichstein′s substance S, ≥98%
• assay: (Infrared Spectrum: Conforms to Structure); ≥98%
• form: powder
• mp: 208 °C (dec.) (lit.)
• solubility: ethanol: 50 mg/mL, clear, colorless to faint yellow or tan
• application(s): diagnostic assay manufacturing; hematology; histology
• storage temp.: room temp
• SMILES string: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO
• InChI: 1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
• InChI key: WHBHBVVOGNECLV-OBQKJFGGSA-N

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)