Spektraris NMR
agelasine B amorphous white
Common Name: agelasine B amorphous white
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)9-10-21-19(2)11-14-25(4)20(3)8-7-13-26(21,25)5/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m0/s1
InChIKey: InChIKey=RMVKVPUPISOTEM-HFYKSFLZSA-N
Formula: C26H40N5
Molecular Weight: 422.630479
Exact Mass: 422.328371
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Kaneko, M., Okamura, H., Nakatani, M., van Soest, R.W.M. J Nat Prod (1998) 61, 1310-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 |
|---|---|
| 1 (CH2) | 31.9 |
| 2 (CH2) | 21.4 |
| 3 (CH2) | 31.1 |
| 4 (CH) | 30.5 |
| 5 (C) | 39.5 |
| 6 (CH2) | 33.9 |
| 7 (CH2) | 33 |
| 8 (C) | 149.3 |
| 9 (CH) | 42.5 |
| 10 (C) | 42.3 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 38.8 |
| 13 (C) | 147.5 |
| 14 (CH) | 116 |
| 15 (CH2) | 48.6 |
| 16 (CH3) | 17.5 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 18.4 |
| 2' (CH) | 156.2 |
| 4' (C) | 149.6 |
| 5' (C) | 109.9 |
| 6' (C) | 152.4 |
| 7' (CH) | 142.1 |
| 9' (CH3) | 32 |
