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979-02-2

Name 16-Dehydropregnenolone acetate
CAS 979-02-2
EINECS(EC#) 213-558-7
Molecular Formula C23H32O3
MDL Number MFCD00051130
Molecular Weight 356.5
MOL File 979-02-2.mol
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Chemical Properties

Melting point  170-178°C
Boiling point  464.4±45.0 °C(Predicted)
density  1.11±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
InChI InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/s3
InChIKey MZWRIOUCMXPLKV-RFOVXIPZSA-N
SMILES [C@]12(C)CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)C)CC4=CC[C@@]3([H])[C@]1([H])CC=C2C(=O)C |&1:0,4,6,10,19,21,r|
CAS DataBase Reference 979-02-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  2
RTECS  TU4156200

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