Spektraris NMR
Sphaeropsidin E
Common Name: Sphaeropsidin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-6-19(4)11-13(22)16-15(17(19)23)12(21)10-14-18(2,3)8-7-9-20(14,16)5/h6,12-14,17,21-23H,1,7-11H2,2-5H3/t12-,13+,14+,17-,19+,20+/m1/s1
InChIKey: InChIKey=PEVPTRLNHNJRMF-FKSZAOESSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Evidente, A., Sparapano, L., Bruno, G., Motta, A. Phytochemistry (2002) 59, 817-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 36.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.6 |
| 4 (C) | 31.2 |
| 5 (CH) | 46.2 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 65.5 |
| 8 (C) | 133.3 |
| 9 (C) | 146.4 |
| 10 (C) | 59.3 |
| 11 (CH) | 65.5 |
| 12 (CH2) | 40.7 |
| 13 (C) | 38.6 |
| 14 (CH) | 72.7 |
| 15 (CH) | 144.9 |
| 16 (CH2) | 113.3 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 21.9 |
