Spektraris NMR
Esulatin E
Common Name: Esulatin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O10/c1-15-10-11-21(33)26(7,8)13-12-16(2)24(34)28(38-20(6)32)14-27(9,37-19(5)31)25(36-18(4)30)22(28)23(15)35-17(3)29/h10-13,16,22-23,25H,1,14H2,2-9H3/b11-10-,13-12+/t16-,22+,23+,25-,27-,28-/m1/s1
InChIKey: InChIKey=UXVRDUFFNLUIPX-XSHCXROOSA-N
Formula: C28H36O10
Molecular Weight: 532.580522
Exact Mass: 532.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gunther, G., Hohmann, J., Vasas, A., Mathe, I., Dombi, G., Jerkovich, G. Phytochemistry (1998) 47, 1309-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 46.2 |
| 2 (C) | 86.5 |
| 3 (CH) | 78.6 |
| 4 (CH) | 48.1 |
| 5 (CH) | 69.6 |
| 6 (C) | 144 |
| 7 (CH) | 136.5 |
| 8 (CH) | 129.6 |
| 9 (C) | 202.8 |
| 10 (C) | 49.4 |
| 11 (CH) | 139.2 |
| 12 (CH) | 131.1 |
| 13 (CH) | 45.5 |
| 14 (C) | 208.3 |
| 15 (C) | 89.9 |
| 16 (CH3) | 19.8 |
| 17 (CH2) | 118.6 |
| 18 (CH3) | 24.4 |
| 19 (CH3) | 23 |
| 20 (CH3) | 17.8 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.4 |
| 3a (C) | 169.7 |
| 3b (CH3) | 20.8 |
| 5a (C) | 170.5 |
| 5b (CH3) | 22.2 |
| 15a (C) | 168.8 |
| 15b (CH3) | 21.1 |
