Spektraris NMR
Taiwaniadduct G
Common Name: Taiwaniadduct G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O7/c1-23(2)39-21-27(25(4)13-15-26-24(3)14-16-28-36(26,7)18-12-19-37(28,8)34(46)48-10)41(33(39)45)30(29(43)31(39)44)38(9)20-11-17-35(5,6)32(38)40(41,47)22-42/h13,22-23,26-28,32,43,47H,3,11-12,14-21H2,1-2,4-10H3/b25-13+/t26-,27+,28+,32-,36+,37+,38+,39-,40+,41-/m0/s1
InChIKey: InChIKey=CNXWUAMFNOIFEZ-PQMHAUDVSA-N
Formula: C41H58O7
Molecular Weight: 662.89657
Exact Mass: 662.418254
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) | 36.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 43.6 |
| 4 (C) | 34.5 |
| 5 (CH) | 63.5 |
| 6 (CH) | 202 |
| 7 (C) | 87.5 |
| 8 (C) | 73.8 |
| 9 (C) | 142.2 |
| 10 (C) | 42.9 |
| 11 (C) | 144.1 |
| 12 (C) | 194.5 |
| 13 (C) | 67.3 |
| 14 (C) | 201.8 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 17.8 |
| 17 (CH3) | 18.1 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 24.5 |
| 1' (CH2) | 38.1 |
| 2' (CH2) | 19.5 |
| 3' (CH2) | 37 |
| 4' (C) | 47.7 |
| 5' (CH) | 49.8 |
| 6' (CH2) | 26.5 |
| 7' (CH2) | 37.5 |
| 8' (C) | 147.8 |
| 9' (CH) | 56.7 |
| 10' (C) | 38.8 |
| 11' (CH2) | 23.3 |
| 12' (CH) | 132.4 |
| 13' (C) | 134 |
| 14' (CH) | 44.5 |
| 15' (CH2) | 33 |
| 16' (CH3) | 18.8 |
| 17' (CH2) | 108.2 |
| 18' (C) | 179.2 |
| 19' (CH3) | 16.7 |
| 20' (CH3) | 14.6 |
| 18'a (CH3) | 51.9 |
