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Desoxycorticosterone Structure

Desoxycorticosterone

Chemical Properties

Melting point 138-144 °C
alpha  184 º (c=1, C2H5OH)
Boiling point 407.89°C (rough estimate)
Density  1.0998 (rough estimate)
refractive index  1.5192 (estimate)
Flash point 9℃
storage temp.  -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 12.98±0.10(Predicted)
color  White to Pale Yellow
optical activity +17822 (c 1.5, ethanol)
Water Solubility  slightly soluble
Merck  13,2917
BRN  2062123
InChI 1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey ZESRJSPZRDMNHY-YFWFAHHUSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])C(=O)CO
LogP 2.880
CAS DataBase Reference 64-85-7(CAS DataBase Reference)
NIST Chemistry Reference Deoxycorticosterone(64-85-7)
EPA Substance Registry System Deoxycorticosterone (64-85-7)

Safety Information

Hazard Codes  Xn,T,F
Risk Statements  40-48-39/23/24/25-23/24/25-11
Safety Statements  22-24/25-45-36/37-16-7
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  HG0350000
Storage Class 11 - Combustible Solids
Hazard Classifications Carc. 2
STOT RE 2

MSDS

Usage And Synthesis

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