Spektraris NMR
N-3'-Ethylaplysinopsin
Common Name: N-3'-Ethylaplysinopsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-
InChIKey: InChIKey=WPOIHWRJVKWRCZ-ZFCMMHTMSA-N
Formula: C16H17N4O1
Molecular Weight: 281.333144
Exact Mass: 281.140236
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, J.F., Schetz, J.A., Kelly, M., Peng, J.N., Ang, K.K., Flotow, H., Leong, C.Y., Ng, S.B., Buss, A.D., Wilkins, S.P., Hamann, M.T. J Nat Prod (2002) 65, 476-80
Species:
Notes: Family : Alkaloids, Type : Indols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 130.97 |
| 3 (C) | 109.99 |
| 4 (CH) | 118.91 |
| 5 (CH) | 122.97 |
| 6 (CH) | 120.93 |
| 7 (CH) | 112.07 |
| 8 (C) | 136.43 |
| 9 (C) | 127.8 |
| 10 (CH) | 110.22 |
| 1' (C) | 126.13 |
| 3' (C) | 168.65 |
| 5' (C) | 178.38 |
| 2'a (CH3) | 38.38 |
| 3'a (CH2) | 66.91 |
| 3'b (CH3) | 14.83 |
| 4'a (CH3) | 38.38 |
