Spektraris NMR
6-O-Acetylsphaeropsidin A
Common Name: 6-O-Acetylsphaeropsidin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-6-19(5)10-11-21(26)14(12-19)15(24)22(27-13(2)23)16-18(3,4)8-7-9-20(16,21)17(25)28-22/h6,12,16,26H,1,7-11H2,2-5H3/t16-,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=UTSFCKSXUZSENQ-CNFLGBHRSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
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) | 22.5 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 26.5 |
| 4 (C) | 32.5 |
| 5 (CH) | 53.2 |
| 6 (C) | 105.2 |
| 7 (C) | 189 |
| 8 (C) | 135.6 |
| 9 (C) | 71.5 |
| 10 (C) | 56 |
| 11 (CH2) | 40.4 |
| 12 (CH2) | 29.5 |
| 13 (C) | 38.7 |
| 14 (CH) | 148.5 |
| 15 (CH) | 144.6 |
| 16 (CH2) | 112.9 |
| 17 (CH3) | 24.2 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 22.2 |
| 20 (C) | 174 |
| 6a (C) | 166.8 |
| 6b (CH3) | 21.1 |
