Spektraris NMR
Cespitularin N
Common Name: Cespitularin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H30O4/c1-12-5-6-14-7-8-16(21)19(23,18(14,3)4)17(22)11-13(2)10-15(20)9-12/h10,14-16,20-21,23H,1,5-9,11H2,2-4H3/b13-10+/t14-,15+,16-,19-/m1/s1
InChIKey: InChIKey=AEJPZVZJLAWSDL-PZUSSLCLSA-N
Formula: C19H30O4
Molecular Weight: 322.439824
Exact Mass: 322.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 46.9 |
| 2 (CH2) | 39.3 |
| 3 (CH2) | 33 |
| 4 (C) | 145 |
| 5 (CH2) | 46.9 |
| 6 (CH) | 70.3 |
| 7 (CH) | 132.9 |
| 8 (C) | 133.4 |
| 9 (CH2) | 49.5 |
| 10 (C) | 208.2 |
| 11 (C) | 92.3 |
| 12 (CH) | 74.9 |
| 13 (CH2) | 24.4 |
| 14 (CH2) | 24.6 |
| 15 (C) | 46.9 |
| 16 (CH3) | 25.9 |
| 17 (CH3) | 26.6 |
| 19 (CH3) | 17.6 |
| 20 (CH2) | 115.5 |
