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1096-38-4

Name 16-Dehydroprogesterone
CAS 1096-38-4
EINECS(EC#) 214-142-8
Molecular Formula C21H28O2
MDL Number MFCD00003651
Molecular Weight 312.45
MOL File 1096-38-4.mol
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Chemical Properties

Melting point  185-187 °C(lit.)
Boiling point  461.0±45.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
form  Solid
color  Off-White to Pale Yellow
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
InChIKey VRRHHTISESGZFN-RKFFNLMFSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(C(=O)C)=CC3)CC2
CAS DataBase Reference 1096-38-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
WGK Germany  3

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