Spektraris NMR
Taiwaniadduct F
Common Name: Taiwaniadduct F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O6/c1-22(2)40-26(24(4)12-14-25-23(3)13-15-28-36(25,7)17-11-18-37(28,8)34(45)46)20-39(33(40)44)27(21-41)30-35(5,6)16-10-19-38(30,9)31(39)29(42)32(40)43/h12,21-22,25-28,30,42H,3,10-11,13-20H2,1-2,4-9H3,(H,45,46)/b24-12+/t25-,26-,27+,28+,30-,36+,37+,38-,39-,40+/m0/s1
InChIKey: InChIKey=VQCLFXWEJOSIEG-NKANIECRSA-N
Formula: C40H56O6
Molecular Weight: 632.870548
Exact Mass: 632.40769
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) | 35.9 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.3 |
| 6 (CH) | 205.9 |
| 7 (CH) | 55.1 |
| 8 (C) | 66 |
| 9 (C) | 145.9 |
| 10 (C) | 46.8 |
| 11 (C) | 141.7 |
| 12 (C) | 195.1 |
| 13 (C) | 73.3 |
| 14 (C) | 201.4 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 16.9 |
| 17 (CH3) | 18.7 |
| 18 (CH3) | 34.1 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 19.1 |
| 1' (CH2) | 38 |
| 2' (CH2) | 19.1 |
| 3' (CH2) | 36.9 |
| 4' (C) | 47.3 |
| 5' (CH) | 49.3 |
| 6' (CH2) | 26.5 |
| 7' (CH2) | 37.4 |
| 8' (C) | 147.5 |
| 9' (CH) | 56.9 |
| 10' (C) | 38.6 |
| 11' (CH2) | 22.5 |
| 12' (CH) | 130.4 |
| 13' (C) | 131.5 |
| 14' (CH) | 45.5 |
| 15' (CH2) | 38 |
| 16' (CH3) | 16.1 |
| 17' (CH2) | 107.9 |
| 18' (C) | 184.7 |
| 19' (CH3) | 16.3 |
| 20' (CH3) | 14.5 |
