Spektraris NMR
Cespitularin Q
Common Name: Cespitularin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-12-5-6-14-7-8-16(18(22)19(14,3)4)23-17(21)11-13(2)10-15(20)9-12/h10,14-16,20H,1,5-9,11H2,2-4H3/b13-10+/t14-,15+,16+/m1/s1
InChIKey: InChIKey=OFYDSJDWPZLVHN-GVCJHLKLSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
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) | 43.1 |
| 2 (CH2) | 29.1 |
| 3 (CH2) | 33.6 |
| 4 (C) | 146.3 |
| 5 (CH2) | 44.4 |
| 6 (CH) | 68.8 |
| 7 (CH) | 134.4 |
| 8 (C) | 130.5 |
| 9 (CH2) | 46.4 |
| 10 (C) | 169.7 |
| 11 (C) | 211.2 |
| 12 (CH) | 72.3 |
| 13 (CH2) | 26.4 |
| 14 (CH2) | 20.5 |
| 15 (C) | 47.7 |
| 16 (CH3) | 27.8 |
| 17 (CH3) | 23.2 |
| 19 (CH3) | 17 |
| 20 (CH2) | 112.3 |
