Spektraris NMR
Japonicone D
Common Name: Japonicone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O9/c1-16(9-8-10-40-20(5)35)23-13-25-27(14-32(23,7)39)43-31(38)34(25)15-33-17(2)11-26-22(18(3)30(37)42-26)12-24(33)19(4)28(34)29(33)41-21(6)36/h13,16-17,22,25-29,39H,3,8-12,14-15H2,1-2,4-7H3/t16-,17-,22+,25-,26-,27+,28-,29?,32-,33-,34?/m1/s1
InChIKey: InChIKey=NEJMSJPMPBCXQF-CZEGWTTNSA-N
Formula: C34H44O9
Molecular Weight: 596.709058
Exact Mass: 596.298533
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) | 62.4 |
| 2 (CH) | 81.7 |
| 3 (CH) | 55.2 |
| 4 (C) | 133.7 |
| 5 (C) | 137.1 |
| 6 (CH2) | 26 |
| 7 (CH) | 45 |
| 8 (CH) | 82.4 |
| 9 (CH2) | 35.9 |
| 10 (CH) | 29.8 |
| 11 (C) | 139.7 |
| 12 (C) | 170 |
| 13 (CH2) | 119.2 |
| 14 (CH3) | 17 |
| 15 (CH3) | 14.2 |
| 1' (CH2) | 64.3 |
| 2' (CH2) | 26.7 |
| 3' (CH2) | 34.4 |
| 4' (CH) | 32.5 |
| 5' (C) | 150.6 |
| 6' (CH) | 116.1 |
| 7' (CH) | 42.8 |
| 8' (CH) | 75.2 |
| 9' (CH2) | 39.3 |
| 10' (C) | 67.4 |
| 11' (C) | 58.1 |
| 12' (C) | 178 |
| 13' (CH2) | 36.1 |
| 14' (CH3) | 27.1 |
| 15' (CH3) | 22.8 |
| 1'' (C) | 171 |
| 2'' (CH3) | 20.9 |
| 2a (C) | 170 |
| 2b (CH3) | 21.3 |
