Spektraris NMR
Vitexifolin B
Common Name: Vitexifolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16+,17?,18-,19-,20-/m1/s1
InChIKey: InChIKey=BBYQYMNXQRGCRE-GBLPGSDISA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Yanaka, T., Yamamoto, M., Ito, Y., Nohara, T. J Nat Prod (2002) 65, 537-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 18 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 76.3 |
| 4 (C) | 77 |
| 5 (C) | 42.5 |
| 6 (CH2) | 29.1 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 37 |
| 9 (C) | 38.7 |
| 10 (CH) | 42.5 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 36.8 |
| 13 (C) | 73.7 |
| 14 (CH) | 145.2 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 16 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 21 |
| 20 (CH3) | 29.3 |
