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11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione ??? ???
?? ??:
13951-70-7
???:
11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
???(??):
16α-hydroxy-prednisolone;11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione;(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-diMethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one;16-ALPHA-HYDROXY PREDNISOLONE;11β,16α,17α,21-Tetrahydroxypregna-1,4-diene-3,20-dione;16b;20-dione;4-diene-3;BNKY015-BD04;Einecs 237-731-1
CBNumber:
CB7352308
???:
C21H28O6
??? ??:
376.44
MOL ??:
13951-70-7.mol

11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione ??

???
235-238°C
?? ?
591.5±50.0 °C(Predicted)
??
1.38±0.1 g/cm3(Predicted)
???
0Pa at 25℃
?? ??
Sealed in dry,2-8°C
???
DMSO(?? ???), ???(?? ???, ??)
??? ??
??
??? ??
??? ??
?? ?? (pKa)
11.93±0.70(Predicted)
??
???? ?? ???
???
815mg/L at 20℃
LogP
0.8 at 25℃
CAS ??????
13951-70-7(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H361 ?? ?? ????? ??? ??? ??? ??? ???? ?? ?? 2 ?? P201, P202, P281, P308+P313, P405,P501
??????:
P201 ?? ? ?? ???? ?????.
P202 ?? ?? ?? ??? ?? ???? ??? ???? ???.
P281 ???? ?? ???? ?????
P308+P313 ?? ?? ??? ???? ???? ??· ??? ????.
P405 ???? ?????.
P501 ...? ??? / ??? ?? ???.

11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione C??? ??, ??, ??

??? ??

White Crystalline Solid

Synthesis

501 g of crude 16α-hydroxy prednisolone acetate is dissolved in 700 ml of dichloromethane and 700 ml of ethanol, then 1.5 ml of formic acid is added, 24 ml of 5% sodium hypochlorite aqueous solution is added dropwise, and the temperature is controlled at 15 °C, and the reaction is stirred to obtain the preliminary processed product; Add 150 ml of 5% sodium bisulfite aqueous solution to the above-mentioned preliminary treatment product, concentrate on removing the solvent, adding water to hydrolyze, and filter to obtain 45 g of 16α-hydroxyprednisolone acetate refined product; 45 g of 16α-hydroxyprednisolone acetate obtained above was dissolved in a mixed organic solvent of 250 ml of dichloromethane and 250 ml of methanol, stirred and cooled to 0 °C, 90 ml of 10% sodium sulfite aqueous solution was added, and the reaction was stirred. After completion, it was neutralized with 15% sulfuric acid by mass concentration; the mixed organic solvent was concentrated, watered out, filtered, and dried to obtain 36.5 g of 16α-hydroxyprednisolone (11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione).11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione

11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione ?? ?? ? ???

???

112,21-dihydroxypregna-1,4,16-triene-3,20-dione 16alpha-Hydroxyprednisonlone?????

?? ??

Desonide

11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione ?? ??

???( 361)?? ??
??? ?? ??? ?? ?? ? ??
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11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione ?? ??:

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