Spektraris NMR
Esulatin D
Common Name: Esulatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-16-12-13-30(9,10)25(41-19(4)34)14-24(40-18(3)33)17(2)27(42-20(5)35)26-29(43-21(6)36)31(11,44-22(7)37)15-32(26,28(16)39)45-23(8)38/h12-13,16,24-27,29H,2,14-15H2,1,3-11H3/b13-12+/t16-,24-,25-,26+,27+,29-,31-,32-/m1/s1
InChIKey: InChIKey=OPQAEQYPBHCNDV-SIOVGDGMSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
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) | 46.8 |
| 2 (C) | 86.6 |
| 3 (CH) | 78.2 |
| 4 (CH) | 49.2 |
| 5 (CH) | 68.6 |
| 6 (C) | 146 |
| 7 (CH) | 68 |
| 8 (CH2) | 35.2 |
| 9 (CH) | 74.6 |
| 10 (C) | 40.4 |
| 11 (CH) | 139.3 |
| 12 (CH) | 130 |
| 13 (CH) | 43.7 |
| 14 (C) | 210.9 |
| 15 (C) | 92.6 |
| 16 (CH3) | 18 |
| 17 (CH2) | 111.7 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 26.8 |
| 20 (CH3) | 19.5 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21 |
| 3a (C) | 168.9 |
| 3b (CH3) | 21.3 |
| 5a (C) | 169.4 |
| 5b (CH3) | 20.8 |
| 7a (C) | 169.4 |
| 7b (CH3) | 22.1 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.3 |
| 15a (C) | 170.3 |
| 15b (CH3) | 21 |
