Spektraris NMR
5-Epipisiferol
Common Name: 5-Epipisiferol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18-,20+/m1/s1
InChIKey: InChIKey=NKGGFTFDYGTUSL-QUCCMNQESA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Smith, E.C., Williamson, E.M., Wareham, N., Kaatz, G.W., Gibbons, S. Phytochemistry (2007) 68, 210-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 41.8 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.4 |
| 4 (C) | 34.4 |
| 5 (CH) | 58 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 35.4 |
| 8 (C) | 133 |
| 9 (C) | 135.5 |
| 10 (C) | 71.6 |
| 11 (CH) | 118.8 |
| 12 (C) | 151.6 |
| 13 (C) | 133.4 |
| 14 (CH) | 126.6 |
| 15 (CH) | 26.6 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 32.2 |
| 19 (CH3) | 21.7 |
| 20 (CH2) | 51 |
