Spektraris NMR
Shikokianin
Common Name: Shikokianin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-11-14-8-15(31-12(2)25)17-22-10-30-24(29,23(17,9-14)19(11)27)20(28)18(22)21(4,5)7-6-16(22)32-13(3)26/h14-18,20,28-29H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18-,20+,22+,23+,24-/m1/s1
InChIKey: InChIKey=FKKSXNLVJJDMAR-PIMILLJQSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, B.L., Pan, Y.J., Pan, W.J. Helv Chim Acta (2001) 84, 3418-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 76.4 |
| 2 (CH2) | 25 |
| 3 (CH2) | 38.8 |
| 4 (C) | 33.4 |
| 5 (CH) | 57.8 |
| 6 (CH) | 74.6 |
| 7 (C) | 94.8 |
| 8 (C) | 58.2 |
| 9 (CH) | 53.3 |
| 10 (C) | 41.5 |
| 11 (CH) | 69.6 |
| 12 (CH2) | 37.7 |
| 13 (CH) | 33.4 |
| 14 (CH2) | 25.8 |
| 15 (C) | 207.2 |
| 16 (C) | 151.5 |
| 17 (CH2) | 119.4 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 22.8 |
| 20 (CH2) | 64.8 |
| 1a (C) | 170.3 |
| 1b (CH3) | 22 |
| 11a (C) | 169.8 |
| 11b (CH3) | 21.6 |
