Spektraris NMR
Acutifolone B
Common Name: Acutifolone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-5-14-8-11(16)15(12(17)18-14)9(2)6-7-13(15,4)10(14)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10+,13+,14-,15-/m1/s1
InChIKey: InChIKey=JHLBKWMSBXQNES-UFNBPRGBSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
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) | 27.3 |
| 2 (CH2) | 33.2 |
| 3 (CH2) | 37.2 |
| 4 (CH) | 45.5 |
| 5 (C) | 84.6 |
| 6 (CH2) | 50 |
| 7 (C) | 203.5 |
| 8 (C) | 72.3 |
| 9 (C) | 52.3 |
| 10 (CH) | 134.4 |
| 11 (CH2) | 115.9 |
| 12 (C) | 168.7 |
| 13 (CH3) | 20.1 |
| 14 (CH3) | 19.4 |
| 15 (CH3) | 12.9 |
