[Retracted] Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor

Table 1

The ¹H NMR (500 MHz) and ¹³C NMR (125 MHz) data of compounds 2–5.

No.	2		3		4		5
	(mult., in Hz)	, type	(mult., in Hz)	, type	(mult., in Hz)	, type	(mult., in Hz)	, type
1	7.43 d (16.4)	151.2 CH	7.56 m	153.3 CH	7.54 d (10.3)	153.0 CH	7.51 d (10.3)	151.6 CH
2	6.32 d (16.5)	129.8 CH	6.25 dd (2.0, 10.3)	128.4 CH	6.26 dd (2.0, 7.6)	128.5 CH	6.30 d (10.3)	129.6 CH
3		186.0 CO		186.0 CO		187.0 CO		186.0 CO
4	6.19 s	126.7 CH	6.18 s	125.2 CH	6.18 s	125.2 CH	6.18 s	126.8 CH
5		162.7 C		166.6 C		166.6 C		162.7 C
6	2.48 m; 1.92 m	34.7 CH2	2.31 m; 2.27 m	37.9 CH2	2.01 m	46.7 CH	2.61 m; 2 .51 m	31.3 CH2
7	2.02 m; 1.21 m	28.2 CH2	2.00 m; 1.70 m	29.5 CH2	2.03 m; 1.68 m	26.9 CH	1.86 m; 1.74 m	24.8 CH2
8	2.30 m	51.0 CH	2.60 m	42.5 CH	2.62 m	42.6 CH	2.40 m	47.4 CH
9		99.6 ( Hz, CF)		100.2 ( Hz, CF)		100.2 ( Hz, CF)		98.8 ( Hz, CF)
10		46.2 C		-		38.0 C		46.3 C
11		204.1 ( Hz, CO)		205.9 ( Hz, CO)		205.9 ( Hz, CO)		204.1 ( Hz, CO)
12	2.63 d (11.9); 2.33 m	47.4 CH2	-	-	2.74 td (5.0, 10.0, 20.0); 2.50 d (19.5)	67.8 CH2	3.03 d (0.9); 2.81 m	50.7 CH2
13		38.2 C	-	-		37.9 C	-	35.5 C
14	1.73 m	43.9 CH	1.27 m	-	1.30 m	52.0 CH	1.27 m	-
15	0.87 m	21.5 CH2	0.9 m	-	2.15 m; 1.23 m	33.7 CH2	2.33 m	37.7 CH2
16	3.43 m	47.2 CH		-	2.31 m	46.8 CH		142.9 C
17		93.6 C		87.3 C		87.3 C	-	153.5 C
18	0.77 s	14.7 CH3	0.88 s	14.2 CH3	0.91 s	14.5 CH3	0.99 s	17.2 CH3
19	1.26 s	31.9 CH3	1.59 s	20.6 CH3	1.59 s	20.6 CH3	1.54 s	21.4 CH3
20		198.3 CO		205.9 CO		211.5 CO		192.2 CO
21	4.74 d (16.4); 4.36 d (16.5)	67.6 CH2	4.96 m; 4.92 m	69.2 CH2	4.50 d (19.5); 4.38 d (19.5)	87.3 CH2	4.96 d (16.0); 4.92 d (25.5)	68.2 CH2
22	1.36 d (7.3)	19.0 CH3	1.11 d (7.4)	18.3 CH3	1.12 d (7.3)	18.4 CH3	2.14 s	19.1 CH3
1		174.6 CO		173.9 CO				174.0 CO
2	2.47 q (11.4)	27.0 CH2	2.47 m	26.6 CH2			2.50 q (15.1)	27.1 CH2
3	1.20 m	8.86 CH3	1.18 t (10.0)	8.0 CH3			1.20 t (9.8)	10.8 CH3
1		173.9 CO
2	2.47 q (11.4)	27.0 CH2
3	1.20 m	8.86 CH3