Spektraris NMR
Vitetrifolin E
Common Name: Vitetrifolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-8-21(6,25)12-13-22(7)14(2)18(24)19(26-15(3)23)17-16(22)10-9-11-20(17,4)5/h8,14,18-19,24-25H,1,9-13H2,2-7H3/t14-,18-,19+,21?,22-/m1/s1
InChIKey: InChIKey=HEUKTFJGHNRGIR-VVPBWZQQSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Ito, Y., Nohara, T. Chem Pharm Bull (2001) 49, 1220-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 25.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 39.5 |
| 4 (C) | 34.5 |
| 5 (C) | 132.2 |
| 6 (CH) | 70 |
| 7 (CH) | 71.3 |
| 8 (CH) | 38.8 |
| 9 (C) | 42.8 |
| 10 (C) | 141.8 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 38.9 |
| 13 (C) | 73.1 |
| 14 (CH) | 144.6 |
| 15 (CH2) | 112.1 |
| 16 (CH3) | 28.1 |
| 17 (CH3) | 11.1 |
| 18 (CH3) | 29.3 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 28.3 |
| 6a (C) | 173.2 |
| 6b (CH3) | 21.6 |
