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. Author manuscript; available in PMC: 2008 Oct 16.

Published in final edited form as: Chem Res Toxicol. 2006 Apr;19(4):547–555. doi: 10.1021/tx0503395

Table 2.

The ¹H NMR Spectroscopic Data Obtained with PA1, PA2, PA3, and PA4 in DMSO-d₆

PA1		PA2		PA3		PA4
δ (ppm)	Assignment	δ (ppm)	Assignment	δ (ppm)	Assignment	δ (ppm)	Assignment
		11.88 (s, 1H)	H-1″	11.94 (s, 1H)	H-1	11.97 (d, 2H)	H-1
9.22 (d, 1H)	H-5	9.26 (s, 1H) 9.24 (s, 1H)	H-5, H- 8″	9.20 (d, 1H)	H-8	9.23 (s, 2H)	H-8
7.74 (s, 2H)	NH₂	7.77 (br s, 2H)	2-NH₂
		7.34 (br s, 2H)	2″-NH₂	7.38 (br s, 2H)	NH₂	7.41 (br s, 4H)	NH₂
5.91 (br s, 1H) 5.84 (br s, 1H)	8-OH, 9a-OH	5.96 (m, 1H) 5.86 (m, 1H)	8-OH, 9a- OH
		5.58 (m, 1H) 5.52 (m, 1H)	2′,3′-OH			5.59 (s, 1H) 5.54 (s, 1H)	2′,3′- OH
5.30 (br s, 2H)	2′,3′-OH	5.32 (m, 1H) 5.25 (m, 1H)	2‴,3‴- OH	5.31 (s, 2H) 5.26 (s, 2H)	2′,3′,2″, 3″-OH	5.33 (br s, 2H) 5.27 (br s, 2H)	2″,3″- OH
4.60-4.68 (m, 2H)	H-8, H-9	4.66 (m, 2H)	H-8, H-9
4.50 (dd, 1H)	H-7	4.52 (m, 2H)	H-7, H-4′ or 1‴	4.51 (m, 1H)	H-1′	4.55 (m, 2H)	H-1′/4′
4.26-4.37 (m, 2H)	H-7, H-1′	4.38 (m, 2H)	H-7, H-4′ or 1‴	4.35 (m, 1H)	H-1′	4.40 (m, 2H)	H-1′/4′
		4.14-4.30 (m, 4H)	H-1′, H- 1‴ or 4′	4.24 (dd, 1H)	H-1″	4.24 (m, 2H)	H-1″
4.18 (dd, 1H)	H-1′			4.18 (m, 1H)	H-1″	4.18 (m, 2H)	H-1″
4.04 (m, 4H)	H-9a, H- 4′	4.05 (m, 6H)	H-9a, H- 4‴, H-2′, H-3′	4.06 (m, 4H)	H-4′, H- 4″	4.05 (m, 6H)	H-4″, H-2′, H- 3′
3.88 (m, 1H)	H-2′	3.96 (m, 1H)	H-2‴	3.93 (br, 2H)	H-2′, H- 2″	3.94 (m, 2H)	H-2″
3.73 (m, 1H)	H-3′	3.76 (s, 1H)	H-3‴	3.75 (s, 2H)	H-3′, H- 3″	3.76 (s, 2H)	H-3″
2.02 (s, 3H)	CH₃CO	2.04 (s, 3H)	CH₃CO	2.03 (s, 6H)	CH₃CO	2.01-2.03 (m, 6H)	CH₃CO