Spektraris NMR
Tabularisin L
Common Name: Tabularisin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H46O19/c1-15(2)26(45)55-37-29(53-18(5)42)31(6)13-36(37,48)32(7,21(31)20(27(46)49-9)51-16(3)40)38-23(44)22(43)34-14-35(34,39(38)30(37)56-33(8,57-38)58-39)25(52-17(4)41)28(47)54-24(34)19-10-11-50-12-19/h10-12,15,20-25,29-30,43-44,48H,13-14H2,1-9H3/t20-,21+,22+,23-,24+,25+,29+,30-,31+,32-,33?,34+,35-,36-,37+,38+,39+/m1/s1
InChIKey: InChIKey=QWLDPVRVUSYWMC-TZNKYGJJSA-N
Formula: C39H46O19
Molecular Weight: 818.772668
Exact Mass: 818.263329
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) | 84.5 |
| 2 (C) | 82.8 |
| 3 (CH) | 85.4 |
| 4 (C) | 44.3 |
| 5 (CH) | 42.9 |
| 6 (CH) | 71.1 |
| 7 (C) | 171.1 |
| 8 (C) | 85.7 |
| 9 (C) | 85 |
| 10 (C) | 49.2 |
| 11 (CH) | 69.1 |
| 12 (CH) | 65.8 |
| 13 (C) | 33.3 |
| 14 (C) | 25.6 |
| 15 (CH) | 70.5 |
| 16 (C) | 165.7 |
| 17 (CH) | 72.4 |
| 18 (CH2) | 16.1 |
| 19 (CH3) | 17.3 |
| 20 (C) | 122.4 |
| 21 (CH) | 142 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 15.3 |
| 29 (CH2) | 40.6 |
| 30 (CH) | 76.3 |
| 2a (C) | 175.6 |
| 2b (CH) | 34.4 |
| 2c (CH3) | 18.7 |
| 2ba (CH3) | 18.7 |
| 3a (C) | 168.4 |
| 3b (CH3) | 20.9 |
| 6a (C) | 169.2 |
| 6b (CH3) | 20.9 |
| 7a (CH3) | 53.6 |
| 8a (C) | 116 |
| 8b (CH3) | 15.6 |
| 15a (C) | 169.1 |
| 15b (CH3) | 20.4 |
