Spektraris NMR
Acantholide A
Common Name: Acantholide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-17(8-6-10-20-16-23(27)29-24(20)28)11-14-22(26)19(3)12-13-21-18(2)9-7-15-25(21,4)5/h8,16,22,24,26,28H,3,6-7,9-15H2,1-2,4-5H3/b17-8+
InChIKey: InChIKey=JXCLIVLCZCUOJG-CAOOACKPSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
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 : Monocarbocyclics; 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 (CH2) | 28.8 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 124.1 |
| 7 (C) | 137.8 |
| 8 (CH2) | 43.2 |
| 9 (CH2) | 32.6 |
| 10 (CH) | 75.7 |
| 11 (C) | 153.8 |
| 12 (CH2) | 36.8 |
| 13 (CH2) | 28.7 |
| 14 (C) | 138.2 |
| 15 (C) | 128.4 |
| 16 (CH2) | 33.7 |
| 17 (CH2) | 20.6 |
| 18 (CH2) | 41 |
| 19 (C) | 36 |
| 20 (CH3) | 29.1 |
| 21 (CH3) | 29.1 |
| 22 (CH3) | 20.1 |
| 23 (CH2) | 109.7 |
| 24 (CH3) | 16.2 |
| 25 (CH) | 101 |
