Spektraris NMR
Cespitularin A
Common Name: Cespitularin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-13-5-7-16-8-6-15-12-22-18(19(15)20(16,3)4)11-14(2)10-17(21)9-13/h10,12,16-17,21H,1,5-9,11H2,2-4H3/b14-10+/t16-,17?/m1/s1
InChIKey: InChIKey=JVNAZMDBBAYMLF-AUORYKPQSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1429-33
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) | 31.4 |
| 3 (CH2) | 29.8 |
| 4 (C) | 147.1 |
| 5 (CH2) | 44.6 |
| 6 (CH) | 68.7 |
| 7 (CH) | 129.9 |
| 8 (C) | 134.3 |
| 9 (CH2) | 37.8 |
| 10 (C) | 144.5 |
| 11 (C) | 126.2 |
| 12 (C) | 124.1 |
| 13 (CH2) | 17.7 |
| 14 (CH2) | 25.9 |
| 15 (C) | 34.2 |
| 16 (CH3) | 33.7 |
| 17 (CH3) | 26.3 |
| 18 (CH) | 134.6 |
| 19 (CH3) | 17.7 |
| 20 (CH2) | 112.4 |
