Spektraris NMR
Esulatin A
Common Name: Esulatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O16/c1-15(2)33(44)50-26-16(3)25(45-18(5)37)24-30(47-20(7)39)35(13,51-22(9)41)14-36(24,52-23(10)42)29(43)17(4)27-31(49-27)34(11,12)32(48-21(8)40)28(26)46-19(6)38/h15,17,24-28,30-32H,3,14H2,1-2,4-13H3/t17-,24+,25+,26+,27-,28-,30-,31-,32-,35-,36-/m1/s1
InChIKey: InChIKey=QLMXVPKQTUZUIB-MBFMHVNVSA-N
Formula: C36H50O16
Molecular Weight: 738.774009
Exact Mass: 738.309886
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hohmann, J., Vasas, A., Gunther, G., Methe, I., Evanics, F., Dombi, G., Jerkovich, G. J Nat Prod (1997) 60, 331-5
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) | 86.7 |
| 3 (CH) | 78 |
| 4 (CH) | 49.8 |
| 5 (CH) | 67.6 |
| 6 (C) | 141.7 |
| 7 (CH) | 68.5 |
| 8 (CH) | 69 |
| 9 (CH) | 77.3 |
| 10 (C) | 39.6 |
| 11 (CH) | 58.4 |
| 12 (CH) | 57.1 |
| 13 (CH) | 37 |
| 14 (C) | 210.3 |
| 15 (C) | 92.6 |
| 16 (CH3) | 18.1 |
| 17 (CH2) | 111.9 |
| 18 (CH3) | 23.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 15.3 |
| 2a (C) | 169.7 |
| 2b (CH3) | 22.2 |
| 3a (C) | 168.6 |
| 3b (CH3) | 21.2 |
| 5a (C) | 168.3 |
| 5b (CH3) | 21.3 |
| 7a (C) | 175 |
| 7b (CH) | 33.8 |
| 7c (CH3) | 19.1 |
| 7ba (CH3) | 18.4 |
| 8a (C) | 169.5 |
| 8b (CH3) | 20.5 |
| 9a (C) | 169.1 |
| 9b (CH3) | 20.8 |
| 15a (C) | 170 |
| 15b (CH3) | 21.2 |
