Spektraris NMR
Kanaitzensol A
Common Name: Kanaitzensol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10(9-16)13-8-15(3)11(2)5-4-6-12(15)7-14(13)17/h11-12,16H,4-9H2,1-3H3/b13-10+/t11-,12+,15+/m0/s1
InChIKey: InChIKey=VDUFYEYMLATBTF-YITDPVCKSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tori, M., Watanabe, A., Matsuo, S., Okamoto, Y., Tachikawa, K., Takaoka, S., Gong, X., Kuroda, C., Hanai, R. Tetrahedron (2008) 64, 4486-95
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) | 27.3 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 30.3 |
| 4 (CH) | 30.1 |
| 5 (C) | 36.9 |
| 6 (CH2) | 40.3 |
| 7 (C) | 133.5 |
| 8 (C) | 204.8 |
| 9 (CH2) | 44.4 |
| 10 (CH) | 41.5 |
| 11 (C) | 139.5 |
| 12 (CH3) | 17.7 |
| 13 (CH2) | 62.8 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 15.8 |
