17-Acetoxy-5a-androsta-2,16-diene Chemical Properties

Boiling point:

413.2±45.0 °C(Predicted)

Density 

1.07

vapor pressure 

0.001Pa at 25℃

storage temp. 

2-8°C

solubility 

Chloroform (Sparingly), Methanol (Slightly)

form 

Powder

InChI

InChI=1/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3/t15-,16+,17+,18+,20+,21+/s3

InChIKey

PEPMRHLQYPCJPR-ISHWDHFHNA-N

SMILES

C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(OC(C)=O)=CC3)CC2 |&1:2,4,8,10,12,14,r|

LogP

7.9 at 35℃ and pH7

17-Acetoxy-5a-androsta-2,16-diene Usage And Synthesis

Chemical Properties

Yellow Solid

Uses

17-Acetoxy-5a-androsta-2,16-diene is a reactant used in the preparation of Rocuronium (R639500) and its derivatives.

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