Spektraris NMR
epi-Agelasine C
Common Name: epi-Agelasine C
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)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h8,12,16-17,19-20H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t19-,20-,26-/m0/s1
InChIKey: InChIKey=AGTCBVBMJBPVIF-KSLJUFOISA-N
Formula: C26H40N5
Molecular Weight: 422.630479
Exact Mass: 422.328371
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hattori, T., Adachi, K., Shizuri, Y. J Nat Prod (1997) 60, 411-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) | 116.72 |
| 2 (CH2) | 22.3 |
| 3 (CH2) | 30.45 |
| 4 (C) | 30.37 |
| 5 (CH) | 43.21 |
| 6 (CH2) | 29.4 |
| 7 (CH2) | 30.55 |
| 8 (CH) | 44.06 |
| 9 (C) | 41.74 |
| 10 (C) | 145.04 |
| 11 (CH2) | 28.65 |
| 12 (CH2) | 33.27 |
| 13 (C) | 148.22 |
| 14 (CH) | 113.32 |
| 15 (CH2) | 46.8 |
| 16 (CH3) | 15.18 |
| 17 (CH3) | 14.8 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 26.37 |
| 20 (CH3) | 21.7 |
| 2' (CH) | 155.2 |
| 4' (C) | 148.97 |
| 5' (C) | 109.21 |
| 6' (C) | 152.19 |
| 8' (CH) | 119.45 |
| 9'a (CH3) | 30.04 |
