Spektraris NMR
Novaxenicin A
Common Name: Novaxenicin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-7-14-17(23-14)20(4,21)6-5-11-12-8-15(16-19(2,3)25-16)24-18(12)22-9-13(10)11/h8,11,13-18,21H,1,5-7,9H2,2-4H3/t11-,13+,14-,15-,16-,17-,18+,20+/m1/s1
InChIKey: InChIKey=PVAIAJLEMKCLCA-SYAZFZFOSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Goldberg, I., Benayahu, Y., Kashman, Y. Tetrahedron (2006) 62, 12092-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 142.1 |
| 2 (CH) | 53.9 |
| 3 (CH) | 35.2 |
| 4 (CH2) | 25.7 |
| 5 (CH2) | 33.9 |
| 6 (C) | 72.2 |
| 7 (CH) | 61.7 |
| 8 (CH) | 60.9 |
| 9 (CH2) | 29.1 |
| 10 (C) | 143.3 |
| 11 (CH) | 119.9 |
| 12 (CH) | 85 |
| 13 (CH) | 64.9 |
| 14 (C) | 58.5 |
| 15 (CH3) | 18.5 |
| 16 (CH3) | 24.2 |
| 17 (CH) | 108 |
| 18 (CH2) | 69.4 |
| 19 (CH2) | 118.7 |
| 20 (CH3) | 31.8 |
