Spektraris NMR
Isokallolide A
Common Name: Isokallolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-10(2)14-7-6-13-9-16(24-20(13)22)17(11(3)4)15-8-12(5)19(23-15)18(14)21/h8-9,14,16,18,21H,1,6-7H2,2-5H3/t14-,16+,18-/m0/s1
InChIKey: InChIKey=HAZOIALSVUJBMC-LESCRADOSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Shi, Y.P. J Org Chem (2000) 65, 3192-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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) | 49.6 |
| 2 (CH) | 65.2 |
| 3 (C) | 148 |
| 4 (C) | 119.9 |
| 5 (CH) | 113.4 |
| 6 (C) | 149.8 |
| 7 (C) | 142.6 |
| 8 (CH) | 78.9 |
| 9 (CH) | 147.5 |
| 10 (C) | 137.4 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 33.4 |
| 13 (C) | 144 |
| 14 (CH2) | 116.7 |
| 15 (CH3) | 17.3 |
| 16 (CH3) | 9.5 |
| 17 (C) | 120.4 |
| 18 (CH3) | 23 |
| 19 (CH3) | 20.6 |
| 20 (C) | 175.6 |
