Peritassine A

Peritassine A

Common Name: Peritassine A

Synonyms:

CAS Registry Number: 150881-01-9

InChI: InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)26-29(53-21(6)43)38(37,36(30,10)48)57-35(26,9)14-50-34(47)25-13-39-12-11-24(16)25/h11-13,16-17,26-32,48H,14-15H2,1-10H3/t16?,17?,26-,27-,28+,29-,30+,31-,32+,35+,36+,37-,38+/m1/s1

InChIKey: InChIKey=XVCIECFQBMGYAF-MAIHBIEISA-N

Formula: C38H47N1O18

Molecular Weight: 805.77568

Exact Mass: 805.279314

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: 1H, 13C - Klass, J., Tinto, W.F. Reynolds, W.F., McLean, S. (1993) Peritassines A and B, new sesquiterpene alkaloids from Peritassa compta. J. Nat. Prod. 56, 946-948.

Species: Peritassa compta - Klass, J., Tinto, W.F. Reynolds, W.F., McLean, S. (1993) Peritassines A and B, new sesquiterpene alkaloids from Peritassa compta. J. Nat. Prod. 56, 946-948.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 5.51 3.9
2 5.2 3.9, 2.6
3 4.7 2.6
4 4.64 1
6 7.04 s
7 2.33 4.2
8 5.49 6.1, 4.2
9 5.34 6.1
12 1.68 s
13 (stereochemistry unknown) 6.03 11.8
13 (stereochemistry unknown) 3.71 11.8
14 1.53 1
15 (stereochemistry unknown) 4.45 13.6
15 (stereochemistry unknown) 5.1 13.6
2' 8.71 5.7
3' 7.5 5.7
6' 9.02 s
7' 4.74 6.8
8' 2.42 7.1
9' 1.38 6.8
10' 1.07 7.1

Carbon NMR Peaks

Position PPM
1 73.33
2 68.66
3 75.86
4 70.41
5 94.28
6 73.68
7 50.57
8 68.92
9 70.54
10 52.09
11 84.3
12 18.48
13 70.29
14 22.78
15 59.94
2' 152.91
3' 121.49
4' 156.42
5' 125.2
6' 150.91
7' 33.39
8' 15.64
9' 11.33
10' 10.01
11' 173.58
12' 167.96
OAc (severals carbonyl Cs; position unknown) 170
OAc (position unknown) 21.64
OAc (position unknown) 21.32
OAc (position unknown) 21.02
OAc (position unknown) 21.02
OAc (position unknown) 20.48
OAc (position unknown) 20.39