Chemical properties of Baudanone
Melting point :164-166°C
Specific rotation :D25+25°(inchloroform)
Boiling point :368.77°C(roughestimate)
Density :1.0655(roughestimate)
Refractive index :1.4709(estimate)
Storage conditions :ControlledSubstance,-20°CFreezer
Solubility :DMF:25mg/ml; DMSO:15mg/ml; DMSO: PBS (pH7.2) (1:1) : 0.5 mg/ml; Ethanol:10mg/ml
Mode :Acrystallinesolid
Acidity coefficient (pKa):15.05±0.60(Predicted)
Water solubility: 57.1 mg/Lat20Chemicalbook ℃
InChI: InChI = 1 / C19H26O2 / c1-18-9-7-13 (20) 11-12 (18) 3-4-14-3-4-14-17 (21) 19 (15, 2), 10-8-16 (14) 18 / h7, 9,11,14-17, 19 H, 3-6,8,10 H2, 1 -2H3/t14-,15-,16-,17-,18-,19-/s3
InChIKey:RSIHSRDYCUFFLA-KRHBYBJCNA-N
12 (@ @ SMILES: [C] [H]) CCC3 = CC (= O) C = C/C @ 3 (C) @ @ [C] 1 (CC @ [C] [H]) 1 (C) @ H [C] (CC @ @ [C] and [H]) O | & 1-0, 10,12,16,18,21, r |
Application: Pharmaceutical intermediates, hormones
China
