Spektraris NMR
Jolkinol B
Common Name: Jolkinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1
InChIKey: InChIKey=OMBNGHNNZSKBRK-XMILKHFNSA-N
Formula: C29H36O5
Molecular Weight: 464.594233
Exact Mass: 464.256274
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) | 44.9 |
| 2 (CH) | 38.5 |
| 3 (CH) | 78.6 |
| 4 (CH) | 52.2 |
| 5 (CH) | 58.2 |
| 6 (C) | 63.9 |
| 7 (CH2) | 38.8 |
| 8 (CH2) | 23.3 |
| 9 (CH) | 33.8 |
| 10 (C) | 26.3 |
| 11 (CH) | 29.7 |
| 12 (CH) | 144.3 |
| 13 (C) | 134 |
| 14 (C) | 195.1 |
| 15 (C) | 92 |
| 16 (CH3) | 13.2 |
| 17 (CH3) | 20 |
| 18 (CH3) | 29.1 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 12.4 |
| 1' (C) | 165.7 |
| 2' (CH) | 117.4 |
| 3' (CH) | 146.5 |
| 4' (C) | 134 |
| 5' (CH) | 128.2 |
| 6' (CH) | 129 |
| 7' (CH) | 130.7 |
| 8' (CH) | 129 |
| 9' (CH) | 128.2 |
