Spektraris NMR
Japodagrin
Common Name: Japodagrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-8-12-11(17(12,2)3)6-7-18(4,23)9-13-15(22)19(5)16(25-19)20(13,24)14(10)21/h9-12,16,23-24H,6-8H2,1-5H3/b13-9-/t10-,11+,12-,16-,18-,19-,20+/m1/s1
InChIKey: InChIKey=IWOUTWNBTMSJLV-BSTGFAMISA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aiyelaagbe, O.O., Adesogan, K., Ekundayo, O., Gloer, J.B. Phytochemistry (2007) 68, 2420-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 64 |
| 2 (C) | 62.5 |
| 3 (C) | 195.6 |
| 4 (C) | 134.3 |
| 5 (CH) | 151.5 |
| 6 (C) | 75.6 |
| 7 (CH2) | 41.9 |
| 8 (CH2) | 19.3 |
| 9 (CH) | 26.9 |
| 10 (C) | 17.7 |
| 11 (CH) | 19.2 |
| 12 (CH2) | 28.7 |
| 13 (CH) | 41.2 |
| 14 (C) | 209.2 |
| 15 (C) | 82.3 |
| 16 (CH3) | 10.1 |
| 17 (CH3) | 28.9 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 17 |
