Spektraris NMR
Latilagascene D
Common Name: Latilagascene D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O7/c1-22-19-27-26(34(27,2)3)17-18-35(4)32(43-35)29-30(38)25(21-41-33(40)24-13-9-6-10-14-24)20-36(29,31(22)39)42-28(37)16-15-23-11-7-5-8-12-23/h5-16,19,25-27,29-30,32,38H,17-18,20-21H2,1-4H3/b16-15+,22-19+/t25-,26+,27-,29-,30+,32-,35-,36-/m1/s1
InChIKey: InChIKey=VPKGGTXXWCTUNI-VGSDHWDASA-N
Formula: C36H40O7
Molecular Weight: 584.699957
Exact Mass: 584.277404
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) | 39.9 |
| 2 (CH) | 44.5 |
| 3 (CH) | 74.7 |
| 4 (CH) | 51.7 |
| 5 (CH) | 58.1 |
| 6 (C) | 63.9 |
| 7 (CH2) | 38.7 |
| 8 (CH2) | 23.3 |
| 9 (CH) | 33.9 |
| 10 (C) | 26.5 |
| 11 (CH) | 29.8 |
| 12 (CH) | 144.8 |
| 13 (C) | 133.9 |
| 14 (C) | 194.9 |
| 15 (C) | 91.2 |
| 16 (CH2) | 63.2 |
| 17 (CH3) | 20 |
| 18 (CH3) | 29.1 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 12.4 |
| 1' (C) | 165.7 |
| 2' (CH) | 117.3 |
| 3' (CH) | 146.8 |
| 4' (C) | 133.9 |
| 5' (CH) | 128.2 |
| 6' (CH) | 130.8 |
| 7' (CH) | 129 |
| 8' (CH) | 130.8 |
| 9' (CH) | 128.2 |
| 1'' (C) | 167.5 |
| 2'' (C) | 129.7 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 128.4 |
| 5'' (CH) | 133.2 |
| 6'' (CH) | 128.4 |
| 7'' (CH) | 129.8 |
