Spektraris NMR
Japonicone C
Common Name: Japonicone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-13-6-7-23(31)28(5)11-22-20(10-18(13)28)30(27(34)36-22)12-29-14(2)8-21-17(15(3)26(33)35-21)9-19(29)16(4)24(30)25(29)32/h14,17,20-25,31-32H,3,6-12H2,1-2,4-5H3/t14-,17+,20-,21-,22+,23+,24-,25?,28+,29-,30?/m1/s1
InChIKey: InChIKey=DFGCHRRQYMDNJM-VTPFEZQASA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qin, J.J., Jin, H.Z., Fu, J.J., Hu, X.J., Wang, Y., Yan, S.K., Zhang, W.D. Bioorg Med Chem Lett (2009) 19, 710-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 70.5 |
| 2 (CH) | 85.7 |
| 3 (CH) | 53 |
| 4 (C) | 135.4 |
| 5 (C) | 140.8 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 44.7 |
| 8 (CH) | 80.5 |
| 9 (CH2) | 36.8 |
| 10 (CH) | 27.8 |
| 11 (C) | 140.3 |
| 12 (C) | 169.6 |
| 13 (CH2) | 119 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 13.6 |
| 1' (CH) | 71.2 |
| 2' (CH2) | 27 |
| 3' (CH2) | 30.7 |
| 4' (C) | 126.7 |
| 5' (C) | 130.6 |
| 6' (CH2) | 25.7 |
| 7' (CH) | 44.7 |
| 8' (CH) | 77.9 |
| 9' (CH2) | 37.5 |
| 10' (C) | 39.1 |
| 11' (C) | 57 |
| 12' (C) | 185.8 |
| 13' (CH2) | 35.9 |
| 14' (CH3) | 20.6 |
| 15' (CH3) | 18.5 |
