Spektraris NMR
Rotundeic acid C
Common Name: Rotundeic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-11-18-9-6-15-17(2,3)7-4-8-19(15,16(21)22)20(18,23)10-5-14(13)12-18/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,18-,19-,20+/m1/s1
InChIKey: InChIKey=GMODQHGWLIWBKU-NGTQAZIISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C5D5N
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) | 33.7 |
| 2 (CH2) | 21.5 |
| 3 (CH2) | 43.1 |
| 4 (C) | 34.5 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 36.7 |
| 8 (C) | 51 |
| 9 (C) | 76.3 |
| 10 (C) | 54.7 |
| 11 (CH2) | 30.2 |
| 12 (CH2) | 33.8 |
| 13 (CH) | 42.9 |
| 14 (CH2) | 40.4 |
| 15 (CH2) | 44.8 |
| 16 (C) | 156.9 |
| 17 (CH2) | 103 |
| 18 (CH3) | 34.1 |
| 19 (CH3) | 23.3 |
| 20 (C) | 179.6 |
