Spektraris NMR
Taepeenin J
Common Name: Taepeenin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H54O2/c1-24-25-11-13-33-36(2,3)16-9-18-38(33,6)29(25)22-31-26(24)21-35(42-31)40(8)27-12-14-34-37(4,5)17-10-19-39(34,7)30(27)23-32-28(40)15-20-41-32/h15,20-22,27,30,33-34H,9-14,16-19,23H2,1-8H3/t27-,30+,33+,34+,38-,39-,40+/m1/s1
InChIKey: InChIKey=ONXKGXXWDOZSTP-FBZZHQHLSA-N
Formula: C40H54O2
Molecular Weight: 566.857046
Exact Mass: 566.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheenpracha, S., Karalai, C., Ponglimanont, C., Chantrapromma, K., Laphookhieo, S. Helv Chim Acta (2006) 89, 1062-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 39.9 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.5 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 28 |
| 8 (C) | 127.3 |
| 9 (C) | 146.8 |
| 10 (C) | 38.4 |
| 11 (CH) | 104.3 |
| 12 (C) | 153.3 |
| 13 (C) | 126.4 |
| 14 (C) | 127.3 |
| 15 (CH) | 102.6 |
| 16 (C) | 162.3 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 25.3 |
| 1' (CH2) | 39.4 |
| 2' (CH2) | 18.8 |
| 3' (CH2) | 41.8 |
| 4' (C) | 33.1 |
| 5' (CH) | 54.2 |
| 6' (CH2) | 21.4 |
| 7' (CH2) | 28.6 |
| 8' (CH) | 44.2 |
| 9' (CH) | 47.5 |
| 10' (C) | 37.6 |
| 11' (CH2) | 22.1 |
| 12' (C) | 150.6 |
| 13' (C) | 121.9 |
| 14' (C) | 40.3 |
| 15' (CH) | 108.5 |
| 16' (CH) | 140.6 |
| 17' (CH3) | 24.6 |
| 18' (CH3) | 33.4 |
| 19' (CH3) | 22.1 |
| 20' (CH3) | 14.3 |
