Spektraris NMR
Rhopaloic acid A
Common Name: Rhopaloic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O3/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-22-15-16-23(27-17-22)21(5)24(25)26/h9,11,13,22-23H,5-8,10,12,14-17H2,1-4H3,(H,25,26)/b19-11+,20-13+/t22-,23+/m0/s1
InChIKey: InChIKey=IFDPWHHQIPWEFF-FNDQPAFASA-N
Formula: C24H38O3
Molecular Weight: 374.557625
Exact Mass: 374.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yanai, M., Ohta, S., Ohta, E., Ikegami, S. Tetrahedron (1998) 54, 15607-12
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (C) | 170.7 |
| 2 (C) | 141.9 |
| 3 (CH) | 76 |
| 4 (CH2) | 32.1 |
| 5 (CH2) | 30.4 |
| 6 (CH) | 35.3 |
| 7 (CH2) | 32.5 |
| 8 (CH2) | 25 |
| 9 (CH) | 124.2 |
| 10 (C) | 135 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 124.2 |
| 14 (C) | 135.3 |
| 15 (CH2) | 39.7 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 124.4 |
| 18 (C) | 131.2 |
| 19 (CH3) | 25.7 |
| 21 (CH2) | 125.8 |
| 22 (CH2) | 73.9 |
| 23 (CH3) | 16 |
| 24 (CH3) | 16 |
| 25 (CH3) | 17.7 |
