Spektraris NMR
Taiwaniadduct H
Common Name: Taiwaniadduct H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H60O6/c1-23(2)29-30(46-10)33(43)41-27(22-26-24(3)14-15-28-37(26,7)18-13-19-38(28,8)35(45)47-11)25(4)16-21-40(41,32(29)42)34(44)31-36(5,6)17-12-20-39(31,41)9/h16,23,26-28,31,34,44H,3,12-15,17-22H2,1-2,4-11H3/t26-,27?,28+,31-,34+,37+,38+,39-,40?,41+/m0/s1
InChIKey: InChIKey=BMFFSJSYRNYPOX-VLNBARKJSA-N
Formula: C41H60O6
Molecular Weight: 648.913047
Exact Mass: 648.43899
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) | 35.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.4 |
| 5 (CH) | 55.3 |
| 7 (CH) | 77.3 |
| 8 (C) | 59.4 |
| 9 (C) | 66.1 |
| 10 (C) | 47.4 |
| 11 (C) | 200 |
| 12 (C) | 159.8 |
| 13 (C) | 140.9 |
| 14 (C) | 205.1 |
| 15 (CH) | 25.9 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 20.7 |
| 18 (CH3) | 35.4 |
| 19 (CH3) | 22 |
| 20 (CH3) | 21 |
| 1' (CH2) | 37.5 |
| 2' (CH2) | 19.2 |
| 3' (CH2) | 36.8 |
| 4' (C) | 47.7 |
| 5' (CH) | 50.1 |
| 6' (CH2) | 24.9 |
| 7' (CH2) | 37.8 |
| 8' (C) | 147.1 |
| 9' (CH) | 54 |
| 10' (C) | 38.8 |
| 11' (CH2) | 26.8 |
| 12' (CH) | 41.3 |
| 13' (C) | 143 |
| 14' (CH) | 122 |
| 15' (CH2) | 30.6 |
| 16' (CH3) | 24.3 |
| 17' (CH2) | 108.7 |
| 18' (C) | 179.2 |
| 19' (CH3) | 16.5 |
| 20' (CH3) | 15.2 |
| 12a (CH3) | 51.9 |
| 18'a (CH3) | 60 |
