Spektraris NMR
Taiwaniadduct J
Common Name: Taiwaniadduct J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O6/c1-23(2)39-22-37-19-14-26-34(6,16-12-17-35(26,7)32(45)46-9)27(37)21-25-24(3)13-20-38(30(39)43)29(42)28-33(4,5)15-11-18-36(28,8)40(25,38)31(44)41(37,39)47-10/h13,23,25-28H,11-12,14-22H2,1-10H3/t25?,26-,27-,28+,34+,35-,36+,37+,38?,39+,40-,41+/m1/s1
InChIKey: InChIKey=MFRWAWWNFOWNML-PKTHLFAKSA-N
Formula: C41H58O6
Molecular Weight: 646.897165
Exact Mass: 646.42334
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1997) 46, 169-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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 (CH2) | 30.8 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 41.1 |
| 4 (C) | 32.8 |
| 5 (CH) | 60.9 |
| 7 (C) | 206.5 |
| 8 (C) | 68.1 |
| 9 (C) | 55.5 |
| 10 (C) | 49.9 |
| 11 (C) | 210.5 |
| 12 (C) | 92.7 |
| 13 (C) | 59.4 |
| 14 (C) | 207.1 |
| 15 (CH) | 34.3 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 21.6 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 23.2 |
| 1' (CH2) | 39.2 |
| 2' (CH2) | 18.6 |
| 3' (CH2) | 36 |
| 4' (C) | 47.7 |
| 5' (CH) | 48 |
| 6' (CH2) | 21.3 |
| 7' (CH2) | 33.8 |
| 8' (C) | 53.8 |
| 9' (CH) | 48 |
| 10' (C) | 39.9 |
| 11' (CH2) | 29 |
| 12' (CH) | 49.2 |
| 13' (C) | 136.1 |
| 14' (CH) | 121.6 |
| 15' (CH2) | 29.9 |
| 16' (CH3) | 22.2 |
| 17' (CH2) | 45.4 |
| 18' (C) | 178.8 |
| 19' (CH3) | 17.1 |
| 20' (CH3) | 15.1 |
| 12a (CH3) | 55.1 |
| 18'a (CH3) | 52 |
