Spektraris NMR
Vitexifolin E
Common Name: Vitexifolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-12-15(23-14(2)21)17-18(3,4)9-7-10-19(17,5)20(13)11-6-8-16(22)24-20/h13,15,17H,6-12H2,1-5H3/t13-,15-,17+,19+,20-/m1/s1
InChIKey: InChIKey=KIGLIKYNKWYLIT-YJLWDSPXSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 33.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34.1 |
| 5 (CH) | 46.9 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 35.5 |
| 8 (CH) | 34.1 |
| 9 (C) | 90 |
| 10 (C) | 44.7 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 19.4 |
| 13 (CH2) | 30.6 |
| 14 (C) | 172.8 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 18.4 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.9 |
