Spektraris NMR
Acutifolone A
Common Name: Acutifolone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-6-12-9-13(17)16(14(18)19-5)10(2)7-8-15(16,4)11(12)3/h6,9-11H,1,7-8H2,2-5H3/t10-,11-,15+,16-/m1/s1
InChIKey: InChIKey=XEJHIPPQYNXLCZ-NSLUBLRVSA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hashimoto, T., Irita, H., Tanaka, M., Takaoka, S., Asakawa, Y. Phytochemistry (2000) 53, 593-604
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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 (CH) | 45.7 |
| 2 (CH2) | 31.4 |
| 3 (CH2) | 40.9 |
| 4 (CH) | 38.5 |
| 5 (C) | 160.3 |
| 6 (CH) | 124.3 |
| 7 (C) | 197.1 |
| 8 (C) | 67.3 |
| 9 (C) | 49.9 |
| 10 (CH) | 136.8 |
| 11 (CH2) | 120.1 |
| 12 (C) | 171.2 |
| 13 (CH3) | 15.6 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 18 |
| 12a (CH3) | 51.1 |
