Spektraris NMR
Novaxenicin D
Common Name: Novaxenicin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-11-7-16-17(26-16)20(4,24)6-5-13(15(11)10-21)14-8-12(25-18(14)22)9-19(2,3)23/h8-9,13,15-17,21,23-24H,1,5-7,10H2,2-4H3/b12-9+/t13-,15+,16-,17-,20+/m1/s1
InChIKey: InChIKey=QYSAEOBDCOBHDU-GVMFGWQHSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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) | 144.2 |
| 2 (CH) | 53.5 |
| 3 (CH) | 32.1 |
| 4 (CH2) | 28.2 |
| 5 (CH2) | 33.8 |
| 6 (C) | 71.8 |
| 7 (CH) | 61.3 |
| 8 (CH) | 60.3 |
| 9 (CH2) | 27.3 |
| 10 (C) | 136.2 |
| 11 (CH) | 137.6 |
| 12 (C) | 147.3 |
| 13 (CH) | 122 |
| 14 (C) | 70.9 |
| 15 (CH3) | 30.9 |
| 16 (CH3) | 31 |
| 17 (C) | 169.5 |
| 18 (CH2) | 63.9 |
| 19 (CH2) | 119.8 |
| 20 (CH3) | 31.5 |
