Spektraris NMR
Rotundeic acid A
Common Name: Rotundeic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-13-5-6-15-19(11-13,16(12)21)10-7-14-18(2,3)8-4-9-20(14,15)17(22)23/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16-,19-,20+/m1/s1
InChIKey: InChIKey=OPKKBOZLQOGRNE-DIZUZXFTSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tanaka, H., Asakawa, Y. Phytochemistry (1997) 44, 653-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.2 |
| 2 (CH2) | 20.4 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.7 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 38.2 |
| 8 (C) | 45.7 |
| 9 (CH) | 45.2 |
| 10 (C) | 47.4 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 31.1 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 34.4 |
| 15 (CH) | 82.2 |
| 16 (C) | 157.9 |
| 17 (CH2) | 104.5 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 21.8 |
| 20 (C) | 179.6 |
