Spektraris NMR
Halichonadin E
Common Name: Halichonadin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52N2O/c1-18(2)21-13-16-30(7)15-9-10-20(4)25(30)27(21)32-28(34)33-31(8)17-14-23-26(29(23,5)6)24-19(3)11-12-22(24)31/h18-19,21-27H,4,9-17H2,1-3,5-8H3,(H2,32,33,34)/t19-,21+,22-,23-,24-,25-,26-,27+,30-,31-/m1/s1
InChIKey: InChIKey=GWNAWKXPMUQBAV-BJJXRJFNSA-N
Formula: C31H52N2O1
Molecular Weight: 468.758623
Exact Mass: 468.407964
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kozawa, S., Ishiyama, H., Fromont, J., Kobayashi, J. J Nat Prod (2008) 71, 445-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) | 53.6 |
| 2 (CH2) | 26.8 |
| 3 (CH2) | 34.5 |
| 4 (CH) | 36.6 |
| 5 (CH) | 38.7 |
| 6 (CH) | 28.7 |
| 7 (CH) | 26.9 |
| 8 (CH2) | 20.2 |
| 9 (CH2) | 40.3 |
| 10 (C) | 58.1 |
| 11 (C) | 19.8 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 16.2 |
| 14 (CH3) | 18.9 |
| 15 (CH3) | 15.9 |
| 1' (CH2) | 42.3 |
| 2' (CH2) | 24.3 |
| 3' (CH2) | 38.6 |
| 4' (C) | 146.2 |
| 5' (CH) | 57.8 |
| 6' (CH) | 47.4 |
| 7' (CH) | 37.8 |
| 8' (CH2) | 18.8 |
| 9' (CH2) | 40.6 |
| 10' (C) | 29.7 |
| 11' (CH) | 26.4 |
| 12' (CH3) | 21.8 |
| 13' (CH3) | 16.6 |
| 14' (CH2) | 108.2 |
| 15' (CH3) | 17.3 |
| 10a (C) | 157.1 |
