Spektraris NMR
Isojaponins A
Common Name: Isojaponins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-10-11-7-12(22)14-20(8-11,16(10)23)18(24)27-13-5-6-19(2,3)15-17(25-4)26-9-21(13,14)15/h11-17,22-23H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+,16+,17+,20-,21-/m0/s1
InChIKey: InChIKey=QOLMPFBXPYUXBJ-UTKGNGCRSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, L.B., Huang, S.X., Li, L.M., Zhao, Y., Lei, C., Xiao, W.L., Pu, J.X., Han, Q.B., Sun, H.D. Helv Chim Acta (2007) 90, 2375-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Enmeins; 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) | 77.7 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 37 |
| 4 (C) | 31.5 |
| 5 (CH) | 53.4 |
| 6 (CH) | 109.1 |
| 7 (C) | 175.2 |
| 8 (C) | 53.6 |
| 9 (CH) | 46.7 |
| 10 (C) | 50.9 |
| 11 (CH) | 63.7 |
| 12 (CH2) | 45.8 |
| 13 (CH) | 37.3 |
| 14 (CH2) | 34.5 |
| 15 (CH) | 76.3 |
| 16 (C) | 158.5 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 23.3 |
| 20 (CH2) | 73.9 |
| 6a (CH3) | 54.3 |
