Spektraris NMR
Effusenone A
Common Name: Effusenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-20(2)27-12-18(28-20)21(3)8-9-22(4)14(11-21)6-7-15-16(22)10-17(25)19(26)23(15,5)13-24/h10,14-15,18-19,24,26H,6-9,11-13H2,1-5H3/t14-,15-,18?,19+,21-,22-,23-/m1/s1
InChIKey: InChIKey=FIPDXESYBKHAOQ-FEYGKSCRSA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, G.Z., Li, H.X., Song, F.J., Chen, Y. Helv Chim Acta (2007) 90, 1289-95
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) | 119.8 |
| 2 (C) | 199.1 |
| 3 (CH) | 80.4 |
| 4 (C) | 46.8 |
| 5 (CH) | 44 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 30.2 |
| 9 (C) | 39.2 |
| 10 (C) | 177.1 |
| 11 (CH2) | 33.7 |
| 12 (CH2) | 36.5 |
| 13 (C) | 35.4 |
| 14 (CH2) | 28.1 |
| 15 (CH) | 84.2 |
| 16 (CH2) | 64.6 |
| 17 (CH3) | 18.7 |
| 18 (CH3) | 20.5 |
| 19 (CH2) | 63.3 |
| 20 (CH3) | 19.1 |
| 15a (C) | 108.7 |
| 15b (CH3) | 25 |
| 15c (CH3) | 26.1 |
