Spektraris NMR
Pallidone E
Common Name: Pallidone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O6/c1-15(2)12-18(26)13-16(3)8-7-11-25(5)17(4)22(24(29)31-25)23(28)20-10-9-19(30-6)14-21(20)27/h8-10,14-15,17,22,27H,7,11-13H2,1-6H3/b16-8+/t17-,22+,25-/m1/s1
InChIKey: InChIKey=JVVWSQVKHUCTND-JGPMIUSMSA-N
Formula: C25H34O6
Molecular Weight: 430.534813
Exact Mass: 430.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2000) 63, 436-40
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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 (CH3) | 12.8 |
| 2 (CH) | 44.1 |
| 3 (C) | 87.4 |
| 4 (CH2) | 35.2 |
| 5 (CH2) | 22.3 |
| 6 (CH) | 128.3 |
| 7 (C) | 130.4 |
| 8 (CH2) | 54.1 |
| 9 (C) | 209.3 |
| 10 (CH2) | 51.2 |
| 11 (CH) | 24.6 |
| 12 (CH3) | 22.7 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 16.7 |
| 15 (CH3) | 23.8 |
| 1' (C) | 114 |
| 2' (C) | 166.3 |
| 3' (CH) | 101 |
| 4' (C) | 167.1 |
| 5' (CH) | 108.5 |
| 6' (CH) | 133.1 |
| 7' (C) | 196 |
| 8' (CH) | 54.5 |
| 9' (C) | 171.1 |
| 4'a (CH3) | 55.8 |
