Spektraris NMR
Taiwaniadduct B
Common Name: Taiwaniadduct B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H60O6/c1-24(2)31-32(47-10)35(45)42-28(22-27-25(3)14-15-30-38(27,7)18-13-19-39(30,8)36(46)48-11)26(4)16-21-41(42,34(31)44)29(23-43)33-37(5,6)17-12-20-40(33,42)9/h16,23-24,27-30,33H,3,12-15,17-22H2,1-2,4-11H3/t27-,28-,29+,30+,33-,38+,39+,40-,41+,42+/m0/s1
InChIKey: InChIKey=PPJVSEJHIFPRIP-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) | 34.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.7 |
| 5 (CH) | 54.2 |
| 6 (CH) | 205.4 |
| 7 (CH) | 56.2 |
| 8 (C) | 60.8 |
| 9 (C) | 65.9 |
| 10 (C) | 51.4 |
| 11 (C) | 198.6 |
| 12 (C) | 159 |
| 13 (C) | 141.3 |
| 14 (C) | 201.3 |
| 15 (CH) | 26.4 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 19.3 |
| 18 (CH3) | 35.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 20.1 |
| 1' (CH2) | 37.3 |
| 2' (CH2) | 19 |
| 3' (CH2) | 36.7 |
| 4' (C) | 47.5 |
| 5' (CH) | 50 |
| 6' (CH2) | 26 |
| 7' (CH2) | 37.6 |
| 8' (C) | 146.8 |
| 9' (CH) | 53.8 |
| 10' (C) | 38.7 |
| 11' (CH2) | 26.7 |
| 12' (CH) | 40.3 |
| 13' (C) | 144.2 |
| 14' (CH) | 120.4 |
| 15' (CH2) | 31.7 |
| 16' (CH3) | 24.4 |
| 17' (CH2) | 108.7 |
| 18' (C) | 178.9 |
| 19' (CH3) | 16.3 |
| 20' (CH3) | 15 |
| 12a (CH3) | 51.8 |
| 18'a (CH3) | 59.8 |
