Spektraris NMR
Akaol
Common Name: Akaol
Synonyms: Akaol
CAS Registry Number:
InChI: InChI=1S/C23H34O3/c1-21(2)8-6-9-22(3)17(21)7-10-23(4)18(22)12-15-19(23)14(13-26-5)11-16(24)20(15)25/h11,17-18,24-25H,6-10,12-13H2,1-5H3/t17-,18+,22-,23-/m0/s1
InChIKey: InChIKey=YCNIFSHJDNZEIT-WKZKVMAPSA-N
Formula: C23H34O3
Molecular Weight: 358.515126
Exact Mass: 358.250795
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mukku, V.J., Edrada, R.A., Schmitz, F.J., Shanks, M.K., Chaudhuri, B., Fabbro, D. J Nat Prod (2003) 66, 686-9
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 42.1 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 43.2 |
| 4 (C) | 34 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 21 |
| 7 (CH2) | 36.6 |
| 8 (C) | 50 |
| 9 (CH) | 64.4 |
| 10 (C) | 38.6 |
| 11 (CH2) | 15.8 |
| 12 (CH3) | 33.3 |
| 13 (CH3) | 34.1 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 28.8 |
| 1' (C) | 132.1 |
| 2' (C) | 143.9 |
| 3' (C) | 141.8 |
| 4' (CH) | 117.3 |
| 5' (C) | 124 |
| 6' (C) | 142.5 |
| 7' (CH2) | 73.7 |
| 7'a (CH3) | 57.5 |
