Spektraris NMR
N-3'-Methylaplysinopsin
Common Name: N-3'-Methylaplysinopsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,17H,1-3H3/b13-8+,16-15-
InChIKey: InChIKey=GXBMTEAMDOVNLO-TVSYJCFYSA-N
Formula: C15H15N4O1
Molecular Weight: 267.306527
Exact Mass: 267.124586
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) | 129.87 |
| 3 (C) | 109.99 |
| 4 (CH) | 119.02 |
| 5 (CH) | 123.03 |
| 6 (CH) | 120.98 |
| 7 (CH) | 111.94 |
| 8 (C) | 136.32 |
| 9 (C) | 127.65 |
| 10 (CH) | 110.01 |
| 1' (C) | 125.56 |
| 3' (C) | 168.51 |
| 5' (C) | 177.34 |
| 2'a (CH3) | 38.12 |
| 3'a (CH3) | 57.58 |
| 4'a (CH3) | 38.12 |
