Wilforgine

Wilforgine

Common Name: Wilforgine

Synonyms: (8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine; wilforgin

CAS Registry Number: 37239-47-7

InChI: InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1

InChIKey: InChIKey=QFIYSPKZWOALMZ-IAVRGAQESA-N

Formula: C41H47N1O19

Molecular Weight: 857.80718

Exact Mass: 857.274228

NMR Solvent: CDCl3

MHz: 400 (1H); 100 (13C)

Calibration: Information not provided.

NMR references: 1H, 13C - Ye, H., Ignatova, S., Luo H., Li, Y., Peng, A., Chen, L., Sutherland, I. (2008) Preparative separation of a terpenoid and alkaloids from Tripterygium wilfordii Hook. f. using high-performance counter-current chromatography. Comparison of various elution and operating strategies. J. Chromatogr. 1213, 145-153.

Species: Tripterygium wilfordii - Ye, H., Ignatova, S., Luo H., Li, Y., Peng, A., Chen, L., Sutherland, I. (2008) Preparative separation of a terpenoid and alkaloids from Tripterygium wilfordii Hook. f. using high-performance counter-current chromatography. Comparison of various elution and operating strategies. J. Chromatogr. 1213, 145-153.

Notes: Poor peak annotation.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
(3H) 1.18 d 6.9
(3H) 1.57 s
(3H) 1.85 s
(3H) 1.97 s
(2H) 2.03 m
(3H) 2.19 s
(3H) 2.2 s
(3H) 2.25 s
(1H) 2.36 d 4
(2H) 2.95 m
(2H) 3.94 m
(1H) 5.03 d 2.6
(1H) 5.41 d 6.7
(1H) 5.72 d 3.7
(1H) 6.94 s
(1H) 6.98 d 1.8
(1H) 7.51 t 1.8
(1H) 8.4 s
(1H) 8.76 dd 4.9, 1.8

Carbon NMR Peaks

Position PPM
11.78
20.34
20.92
21.28
21.55
23.42
23.91
24.46
33.31
33.4
45.82
51.13
52.86
60.67
68.53
69.41
70.06
71.2
71.73
73.18
74.84
77.88
83.84
93.85
110.14
119.13
121.63
124.59
138.91
143.97
149.39
152.83
162.27
164.39
167.83
168.84
169.03
169.59
169.87
170.59
173.83