Spektraris NMR
Taiwaniadduct C
Common Name: Taiwaniadduct C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H60O6/c1-24(2)31-32(47-10)35(45)41-22-25(3)20-27(42(41,34(31)44)29(23-43)33-37(5,6)16-12-19-40(33,41)9)21-28-26(4)14-15-30-38(28,7)17-13-18-39(30,8)36(46)48-11/h20,23-24,27-30,33H,4,12-19,21-22H2,1-3,5-11H3/t27-,28-,29+,30+,33-,38+,39+,40-,41+,42+/m0/s1
InChIKey: InChIKey=DUOBMJSDMFJVFP-NXOPIJIASA-N
Formula: C42H60O6
Molecular Weight: 660.923782
Exact Mass: 660.43899
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 42, 1657-63
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) | 32 |
| 2 (CH2) | 18 |
| 3 (CH2) | 41.4 |
| 4 (C) | 54.5 |
| 5 (CH) | 33.8 |
| 6 (CH) | 204.9 |
| 7 (CH) | 58.7 |
| 8 (C) | 64.7 |
| 9 (C) | 60.2 |
| 10 (C) | 51.5 |
| 11 (C) | 199.3 |
| 12 (C) | 160.1 |
| 13 (C) | 144 |
| 14 (C) | 202.3 |
| 15 (CH) | 25.3 |
| 16 (CH3) | 20.1 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 35.3 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 22.3 |
| 1' (CH2) | 37.3 |
| 2' (CH2) | 19.3 |
| 3' (CH2) | 36.9 |
| 4' (C) | 47.7 |
| 5' (CH) | 50.1 |
| 6' (CH2) | 25.9 |
| 7' (CH2) | 37.8 |
| 8' (C) | 147.9 |
| 9' (CH) | 55.6 |
| 10' (C) | 40.3 |
| 11' (CH2) | 26.6 |
| 12' (CH) | 49.5 |
| 13' (CH) | 137.6 |
| 14' (C) | 124.9 |
| 15' (CH2) | 27.1 |
| 16' (CH3) | 24 |
| 17' (CH2) | 107 |
| 18' (C) | 179 |
| 19' (CH3) | 16.5 |
| 20' (CH3) | 14.4 |
| 1ba (CH3) | 51.9 |
| 18'a (CH3) | 60.2 |
