Spektraris NMR
Cespitularin O
Common Name: Cespitularin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(23-19(16)22)11-13(2)10-15(21)9-12/h10,14-15,17,21H,1,5-9,11H2,2-4H3/b13-10+/t14-,15+,17-/m1/s1
InChIKey: InChIKey=WAXTXFVEXSJBJW-CZIVKBJPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 42.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 31.9 |
| 4 (C) | 146.3 |
| 5 (CH2) | 43.7 |
| 6 (CH) | 68.3 |
| 7 (CH) | 134.6 |
| 8 (C) | 133.1 |
| 9 (CH2) | 42.4 |
| 10 (CH) | 82.1 |
| 11 (C) | 170.1 |
| 12 (C) | 127.1 |
| 13 (CH2) | 31.5 |
| 14 (CH2) | 24 |
| 15 (C) | 36.8 |
| 16 (CH3) | 34.3 |
| 17 (CH3) | 25 |
| 18 (C) | 172.5 |
| 19 (CH3) | 18.3 |
| 20 (CH2) | 113.5 |
