Spektraris NMR
Esulatin C
Common Name: Esulatin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O17/c1-15(2)32(44)50-27-16(3)26(46-18(5)37)24-29(48-20(7)39)34(13,51-22(9)41)14-35(24,52-23(10)42)36(45)17(4)25(43)30(53-36)33(11,12)31(49-21(8)40)28(27)47-19(6)38/h15,17,24,26-31,45H,3,14H2,1-2,4-13H3/t17?,24-,26-,27?,28?,29+,30-,31?,34+,35+,36+/m0/s1
InChIKey: InChIKey=YOZBARIOMMBYNL-DTFVCVFUSA-N
Formula: C36H50O17
Molecular Weight: 754.773414
Exact Mass: 754.3048
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) | 43.6 |
| 2 (C) | 88.5 |
| 3 (CH) | 74.2 |
| 4 (CH) | 49.7 |
| 5 (CH) | 69.4 |
| 6 (C) | 147 |
| 7 (CH) | 67.8 |
| 8 (CH) | 70.9 |
| 9 (CH) | 82.6 |
| 10 (C) | 41.4 |
| 11 (CH) | 77.1 |
| 12 (C) | 213.6 |
| 13 (CH) | 21.6 |
| 14 (C) | 105.7 |
| 15 (C) | 89.9 |
| 16 (CH3) | 18.3 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 9.6 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.2 |
| 3a (C) | 169.6 |
| 3b (CH3) | 22.2 |
| 5a (C) | 169.6 |
| 5b (CH3) | 21.1 |
| 7a (C) | 176.6 |
| 7b (CH) | 34.2 |
| 7c (CH3) | 18.8 |
| 7ba (CH3) | 19.8 |
| 8a (C) | 168.9 |
| 8b (CH3) | 22.8 |
| 9a (C) | 168.6 |
| 9b (CH3) | 21.8 |
| 15a (C) | 167.5 |
| 15b (CH3) | 21.2 |
