Spektraris NMR
Isosarcophytoxide
Common Name: Isosarcophytoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20+/m0/s1
InChIKey: InChIKey=HACHOOOQCLDTSB-JAGNCIKBSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yamada, K., Ryu, K., Miyamoto, T., Higuchi, R. J Nat Prod (1997) 60, 798-801
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 132.7 |
| 2 (CH) | 84.6 |
| 3 (CH) | 125.5 |
| 4 (C) | 140.8 |
| 5 (CH2) | 39.7 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 125.5 |
| 8 (C) | 133.1 |
| 9 (CH2) | 37 |
| 10 (CH2) | 24.2 |
| 11 (CH) | 61.2 |
| 12 (C) | 60.7 |
| 13 (CH2) | 35.4 |
| 14 (CH2) | 20.4 |
| 15 (C) | 128.4 |
| 16 (CH2) | 78.3 |
| 17 (CH3) | 10.2 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 7.7 |
