Spektraris NMR
Tabularisin K
Common Name: Tabularisin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O18/c1-14(2)24(42)52-28-35(46)27(50-16(4)39)29(5)12-34(35,45)30(6,19(29)18(40)25(43)47-8)36-22-20(41)32-13-33(32,37(28,36)55-31(7,53-22)54-36)23(49-15(3)38)26(44)51-21(32)17-9-10-48-11-17/h9-11,14,18-23,27-28,40-41,45-46H,12-13H2,1-8H3/t18-,19+,20+,21+,22-,23+,27+,28-,29+,30-,31?,32+,33-,34-,35+,36+,37+/m1/s1
InChIKey: InChIKey=FODDHKDBUYDPQR-NCLWYJMUSA-N
Formula: C37H44O18
Molecular Weight: 776.73591
Exact Mass: 776.252765
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - C, R., Zhang, Yang, S.P., Chen, X.Q., Wu, Y., Zhen, X.C., Yue, J.M. Helv Chim Acta (2008) 91, 2338-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 83.1 |
| 2 (C) | 76.5 |
| 3 (CH) | 86.2 |
| 4 (C) | 44.4 |
| 5 (CH) | 43.4 |
| 6 (CH) | 71.5 |
| 7 (C) | 173.9 |
| 8 (C) | 77.7 |
| 9 (C) | 91.3 |
| 10 (C) | 45 |
| 11 (CH) | 76.4 |
| 12 (CH) | 65 |
| 13 (C) | 34.4 |
| 14 (C) | 31.6 |
| 15 (CH) | 69.7 |
| 16 (C) | 167 |
| 17 (CH) | 71.4 |
| 18 (CH2) | 18 |
| 19 (CH3) | 15.9 |
| 20 (C) | 122.1 |
| 21 (CH) | 142.3 |
| 22 (CH) | 108.8 |
| 23 (CH) | 144.7 |
| 28 (CH3) | 15.1 |
| 29 (CH2) | 39.7 |
| 30 (CH) | 69.8 |
| 3a (C) | 169.2 |
| 3b (CH3) | 21 |
| 7a (CH3) | 53.4 |
| 9a (C) | 119.2 |
| 9b (CH3) | 16.2 |
| 15a (C) | 172.4 |
| 15b (CH3) | 21.4 |
| 30a (C) | 173.5 |
| 30b (CH) | 33.9 |
| 30c (CH3) | 19.4 |
| 30ba (CH3) | 18.7 |
