Spektraris NMR
Isotuxpanolide
Common Name: Isotuxpanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13(2)12-18-19(23)16(20(24)25-18)8-9-17(22)15(4)7-5-6-14(3)10-11-21/h7-8,10,12,17-19,21-23H,5-6,9,11H2,1-4H3/b14-10-,15-7+,16-8-/t17?,18-,19+/m0/s1
InChIKey: InChIKey=XTDIHRJVDHZHKP-SOVYVURJSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Bello, M., Villasenor, J.L., Ortega, A. Phytochemistry (1998) 49, 1115-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 58.7 |
| 2 (CH) | 124.7 |
| 3 (C) | 138.2 |
| 4 (CH2) | 31 |
| 5 (CH2) | 24.8 |
| 6 (CH) | 124.7 |
| 7 (C) | 136.7 |
| 8 (CH) | 75.5 |
| 9 (CH2) | 32.8 |
| 10 (CH) | 143.3 |
| 11 (C) | 130.9 |
| 12 (CH) | 75 |
| 13 (CH) | 81.9 |
| 14 (CH) | 120.7 |
| 15 (C) | 141.2 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 18.5 |
| 18 (C) | 169.1 |
| 19 (CH3) | 12.5 |
| 20 (CH3) | 23 |
