Spektraris NMR
Sphaeropsidin C methyl ester
Common Name: Sphaeropsidin C methyl ester
Synonyms: Sphaeropsidin C methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-6-19(4)10-11-21(24)14(13-19)15(22)12-16-18(2,3)8-7-9-20(16,21)17(23)25-5/h6,13,16,24H,1,7-12H2,2-5H3/t16-,19-,20-,21+/m0/s1
InChIKey: InChIKey=BYODNWRRBVBGDG-LRGNLBRXSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sparapano, L., Bruno, G., Fierro, O., Evidente, A. Phytochemistry (2004) 65, 189-98
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) | 27.2 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 27.9 |
| 4 (C) | 33.6 |
| 5 (CH) | 42.7 |
| 6 (CH2) | 37.3 |
| 7 (C) | 200.3 |
| 8 (C) | 136.7 |
| 9 (C) | 72.1 |
| 10 (C) | 52.2 |
| 11 (CH2) | 41.3 |
| 12 (CH2) | 29.7 |
| 13 (C) | 38.3 |
| 14 (CH) | 144.5 |
| 15 (CH) | 145.6 |
| 16 (CH2) | 112.3 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 31.1 |
| 19 (CH3) | 19.1 |
| 20 (C) | 174.7 |
| 20a (CH3) | 51.2 |
