Spektraris NMR
Japonicone A
Common Name: Japonicone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O7/c1-14-7-8-25(34)30(6)12-24-22(11-20(14)30)32(29(36)39-24)13-31-15(2)9-23-19(16(3)28(35)38-23)10-21(31)17(4)26(32)27(31)37-18(5)33/h11,14-15,19,22-27,34H,3,7-10,12-13H2,1-2,4-6H3/t14-,15-,19+,22-,23-,24+,25+,26-,27?,30+,31-,32?/m1/s1
InChIKey: InChIKey=ABKBNZZEJVKKNL-SVUTXYORSA-N
Formula: C32H40O7
Molecular Weight: 536.657013
Exact Mass: 536.277404
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) | 62.3 |
| 2 (CH) | 81.9 |
| 3 (CH) | 56.2 |
| 4 (C) | 134.2 |
| 5 (C) | 136.4 |
| 6 (CH2) | 26 |
| 7 (CH) | 45.3 |
| 8 (CH) | 82.5 |
| 9 (CH2) | 36.1 |
| 10 (CH) | 29.8 |
| 11 (C) | 139.4 |
| 12 (C) | 170 |
| 13 (CH2) | 119.5 |
| 14 (CH3) | 17 |
| 15 (CH3) | 14.3 |
| 1' (CH) | 80.7 |
| 2' (CH2) | 26 |
| 3' (CH2) | 29.7 |
| 4' (CH) | 38.2 |
| 5' (C) | 149.5 |
| 6' (CH) | 118.1 |
| 7' (CH) | 42.2 |
| 8' (CH) | 75.3 |
| 9' (CH2) | 39.8 |
| 10' (C) | 38.5 |
| 11' (C) | 56.8 |
| 12' (C) | 178.8 |
| 13' (CH2) | 36.4 |
| 14' (CH3) | 21.6 |
| 15' (CH3) | 23 |
| 2a (C) | 170 |
| 2b (CH3) | 21.2 |
