Spektraris NMR
Kellermandiolone
Common Name: Kellermandiolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-9-16(22)18-19(2,3)17(23)5-7-20(18,4)14(12)10-15(21)13-6-8-24-11-13/h6,8,11,14,16-18,22-23H,1,5,7,9-10H2,2-4H3/t14-,16+,17-,18-,20+/m0/s1
InChIKey: InChIKey=OAWQSRVHXWNLTG-PIUDJOPYSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Salazar, I., Gavino, R., Maldonado, E. Phytochemistry (1997) 44, 319-24
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.6 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.8 |
| 4 (C) | 39.8 |
| 5 (CH) | 56 |
| 6 (CH) | 68 |
| 7 (CH2) | 47.1 |
| 8 (C) | 144.5 |
| 9 (CH) | 51.3 |
| 10 (C) | 39.7 |
| 11 (CH2) | 36.2 |
| 12 (C) | 193.8 |
| 13 (C) | 128.1 |
| 14 (CH) | 108.7 |
| 15 (CH) | 144.2 |
| 16 (CH) | 146.7 |
| 17 (CH2) | 110.3 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 17.5 |
