Spektraris NMR
Esulatin B
Common Name: Esulatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O12/c1-15-11-12-28(8,9)23(36)13-22(38-17(3)31)16(2)25(39-18(4)32)24-27(40-19(5)33)29(10,41-20(6)34)14-30(24,26(15)37)42-21(7)35/h11-12,15,22,24-25,27H,2,13-14H2,1,3-10H3/b12-11+/t15-,22-,24+,25+,27-,29-,30-/m1/s1
InChIKey: InChIKey=DHHVTLZJOAQUPG-HZGNIPQVSA-N
Formula: C30H40O12
Molecular Weight: 592.632566
Exact Mass: 592.251977
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) | 46.6 |
| 2 (C) | 86.2 |
| 3 (CH) | 78.3 |
| 4 (CH) | 49.7 |
| 5 (CH) | 68.2 |
| 6 (C) | 147 |
| 7 (CH) | 69.5 |
| 8 (CH2) | 45.4 |
| 9 (C) | 209.4 |
| 10 (C) | 49.3 |
| 11 (CH) | 137.2 |
| 12 (CH) | 133.2 |
| 13 (CH) | 44.7 |
| 14 (C) | 211.1 |
| 15 (C) | 92.1 |
| 16 (CH3) | 17.8 |
| 17 (CH2) | 110.1 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 23 |
| 20 (CH3) | 20.2 |
| 2a (C) | 170.1 |
| 2b (CH3) | 20.9 |
| 3a (C) | 169 |
| 3b (CH3) | 21.4 |
| 5a (C) | 169.7 |
| 5b (CH3) | 20.8 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21.2 |
| 15a (C) | 170.4 |
| 15b (CH3) | 22.1 |
