Spektraris NMR
Acantholide C
Common Name: Acantholide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-18(11-7-13-21-17-23(28)30-24(21)29)9-6-10-19(2)14-15-22(27)25(4,5)16-8-12-20(3)26/h10-11,17,24,29H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKey: InChIKey=VJORARHIZPYLAR-QZPYEDBESA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Elkhayat, E., Edrada, R., Ebel, R., Wray, V., van Soest, R., Wiryowidagdo, S., Mohamed, M.H., Muller, W.E., Proksch, P. J Nat Prod (2004) 67, 1809-17
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) | 173.6 |
| 2 (CH) | 117.9 |
| 3 (C) | 172.1 |
| 4 (CH) | 101 |
| 5 (CH2) | 28.7 |
| 6 (CH2) | 26.2 |
| 7 (CH) | 124.1 |
| 8 (C) | 137.6 |
| 9 (CH3) | 16.2 |
| 10 (CH2) | 40.5 |
| 11 (CH2) | 27.4 |
| 12 (CH) | 124.7 |
| 13 (C) | 136.4 |
| 14 (CH3) | 16.2 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 36.7 |
| 17 (C) | 217.3 |
| 18 (C) | 49.5 |
| 19 (CH3) | 24.7 |
| 20 (CH2) | 40.3 |
| 21 (CH2) | 20 |
| 22 (CH2) | 44.3 |
| 23 (C) | 211.4 |
| 24 (CH3) | 29.9 |
| 25 (CH3) | 26.9 |
