Spektraris NMR
Tabularisin N
Common Name: Tabularisin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O18/c1-16(38)48-15-33-21(11-23(42)46-8)30(5)14-34(33)35(45,28(30)50-18(3)40)29(51-19(4)41)36-22-12-24(43)52-26(20-9-10-47-13-20)31(22,6)27(49-17(2)39)25(44)37(33,36)55-32(7,53-34)54-36/h9-10,13,21-22,25-29,44-45H,11-12,14-15H2,1-8H3/t21-,22+,25+,26-,27-,28-,29+,30-,31+,32?,33+,34+,35-,36+,37-/m0/s1
InChIKey: InChIKey=WLMXWNKJEAHCOW-RATVKELZSA-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) | 85.1 |
| 2 (C) | 79.4 |
| 3 (CH) | 82.8 |
| 4 (C) | 45.4 |
| 5 (CH) | 35.5 |
| 6 (CH2) | 32.9 |
| 7 (C) | 171.8 |
| 8 (C) | 86.2 |
| 9 (C) | 85.3 |
| 10 (C) | 46.9 |
| 11 (CH) | 70.7 |
| 12 (CH) | 71.6 |
| 13 (C) | 37.8 |
| 14 (CH) | 42.1 |
| 15 (CH2) | 26.7 |
| 16 (C) | 169.8 |
| 17 (CH) | 77 |
| 18 (CH3) | 15.6 |
| 19 (CH2) | 66.4 |
| 20 (C) | 120.9 |
| 21 (CH) | 141 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 14 |
| 29 (CH2) | 39 |
| 30 (CH) | 70 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
| 7a (CH3) | 51.8 |
| 8a (C) | 120.1 |
| 8b (CH3) | 21 |
| 12a (C) | 169.7 |
| 12b (CH3) | 20.1 |
| 19a (C) | 169.9 |
| 19b (CH3) | 21 |
| 30a (C) | 168.2 |
| 30b (CH3) | 21.2 |
