Spektraris NMR
Taiwaniadduct I
Common Name: Taiwaniadduct I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O6/c1-23(2)29-30(46-10)33(43)40-21-16-25(4)27(41(40,32(29)42)34(44)31-36(5,6)17-12-20-39(31,40)9)22-26-24(3)14-15-28-37(26,7)18-13-19-38(28,8)35(45)47-11/h16,23,26-28,31H,3,12-15,17-22H2,1-2,4-11H3/t26-,27?,28+,31-,37+,38+,39-,40+,41?/m0/s1
InChIKey: InChIKey=LQTPFQZFQDEQHS-QFDAFEORSA-N
Formula: C41H58O6
Molecular Weight: 646.897165
Exact Mass: 646.42334
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) | 32.3 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 41.7 |
| 4 (C) | 32.6 |
| 5 (CH) | 62.3 |
| 7 (C) | 204.8 |
| 8 (C) | 66.6 |
| 9 (C) | 60.2 |
| 10 (C) | 46.6 |
| 11 (C) | 198.6 |
| 12 (C) | 160.1 |
| 13 (C) | 143.2 |
| 14 (C) | 192.9 |
| 15 (CH) | 25.7 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 21.3 |
| 1' (CH2) | 37.1 |
| 2' (CH2) | 19 |
| 3' (CH2) | 37.5 |
| 4' (C) | 47.6 |
| 5' (CH) | 50.2 |
| 6' (CH2) | 26.7 |
| 7' (CH2) | 37.9 |
| 8' (C) | 149 |
| 9' (CH) | 55.9 |
| 10' (C) | 40.7 |
| 11' (CH2) | 23.3 |
| 12' (CH) | 51.5 |
| 13' (C) | 140.8 |
| 14' (CH) | 123.4 |
| 15' (CH2) | 28.7 |
| 16' (CH3) | 23 |
| 17' (CH2) | 107 |
| 18' (C) | 179.2 |
| 19' (CH3) | 16.5 |
| 20' (CH3) | 14.4 |
| 12a (CH3) | 51.9 |
| 18'a (CH3) | 59.9 |
