Spektraris NMR
Vitisinol A
Common Name: Vitisinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H20O6/c29-15-5-1-13(2-6-15)27-25-19-9-17(31)11-21-23(19)24-20(10-18(32)12-22(24)33-21)26(25)28(34-27)14-3-7-16(30)8-4-14/h1-12,25-32H/t25-,26+,27+,28-
InChIKey: InChIKey=MZWZALRDXMEEEK-KXSOJQAOSA-N
Formula: C28H20O6
Molecular Weight: 452.45585
Exact Mass: 452.125988
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, Y.L., Tsai, W.J., Shen, C.C., Chen, C.C. J Nat Prod (2005) 68, 217-20
Species:
Notes: Family : Aromatics, Type : Phenanthrenes; 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 (CH) | 104.3 |
| 2 (C) | 159.3 |
| 3 (CH) | 96.9 |
| 4 (C) | 159.7 |
| 4a (C) | 122.5 |
| 4b (C) | 122.5 |
| 5 (C) | 159.7 |
| 6 (CH) | 96.9 |
| 7 (C) | 160.1 |
| 8 (CH) | 104.3 |
| 8a (C) | 137.3 |
| 9 (CH) | 48.7 |
| 10 (CH) | 48.7 |
| 10a (C) | 137.3 |
| 1' (CH) | 93.7 |
| 2' (C) | 131.3 |
| 3' (CH) | 130.3 |
| 4' (CH) | 116.6 |
| 5' (C) | 159.3 |
| 6' (CH) | 116.6 |
| 7' (CH) | 130.3 |
| 1'' (CH) | 93.7 |
| 2'' (C) | 131.3 |
| 3'' (CH) | 130.3 |
| 4'' (CH) | 116.6 |
| 5'' (C) | 159.3 |
| 6'' (CH) | 116.6 |
| 7'' (CH) | 130.3 |
