Spektraris NMR
Latilagascene E
Common Name: Latilagascene E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O8/c1-34(2)26-16-17-35(3)32(44-35)29-30(39)25(21-42-33(41)23-12-8-5-9-13-23)19-36(29,31(40)24(20-37)18-27(26)34)43-28(38)15-14-22-10-6-4-7-11-22/h4-15,18,25-27,29-30,32,37,39H,16-17,19-21H2,1-3H3/b15-14+,24-18+/t25-,26+,27-,29-,30+,32-,35-,36-/m1/s1
InChIKey: InChIKey=PEVFNBJFZXFZJR-SLRBYILLSA-N
Formula: C36H40O8
Molecular Weight: 600.699362
Exact Mass: 600.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duarte, N., Varga, A., Cherepnev, G., Radics, R., Molnar, J., Ferreira, M.J.U. Bioorg Med Chem (2007) 15, 546-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 39.5 |
| 2 (CH) | 44.6 |
| 3 (CH) | 74.7 |
| 4 (CH) | 51.7 |
| 5 (CH) | 57.8 |
| 6 (C) | 63.1 |
| 7 (CH2) | 38.6 |
| 8 (CH2) | 23.3 |
| 9 (CH) | 34.9 |
| 10 (C) | 27.4 |
| 11 (CH) | 29.7 |
| 12 (CH) | 148.1 |
| 13 (C) | 136.8 |
| 14 (C) | 196.2 |
| 15 (C) | 91 |
| 16 (CH2) | 63.7 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.2 |
| 20 (CH2) | 58.1 |
| 1' (C) | 165.7 |
| 2' (CH) | 117 |
| 3' (CH) | 147.2 |
| 4' (C) | 133.8 |
| 5' (CH) | 128.2 |
| 6' (CH) | 130.9 |
| 7' (CH) | 129 |
| 8' (CH) | 130.9 |
| 9' (CH) | 128.2 |
| 1'' (C) | 167.5 |
| 2'' (C) | 129.6 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 128.4 |
| 5'' (CH) | 133.3 |
| 6'' (CH) | 128.4 |
| 7'' (CH) | 129.8 |
