Spektraris NMR
5-benzyloxy-9a,10a-epoxy-7b-11-heliannane
Common Name: 5-benzyloxy-9a,10a-epoxy-7b-11-heliannane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O3/c1-14-10-20-21(24-20)22(3,4)25-19-11-15(2)18(12-17(14)19)23-13-16-8-6-5-7-9-16/h5-9,11-12,14,20-21H,10,13H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey: InChIKey=HYNIWUDXBKCSIF-WVFSVQOHSA-N
Formula: C22H26O3
Molecular Weight: 338.440864
Exact Mass: 338.188195
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Chinchilla, D., Molinillo, J.M.G., Fronczek, F.R., Shishido, K. Tetrahedron (2008) 64, 5502-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Heliannanes; 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) | 127.4 |
| 2 (C) | 153.6 |
| 3 (CH) | 111.5 |
| 4 (C) | 126.3 |
| 5 (C) | 148.2 |
| 6 (CH) | 109.1 |
| 7 (CH) | 25.4 |
| 8 (CH2) | 43.7 |
| 9 (CH) | 56.9 |
| 10 (CH) | 62.6 |
| 11 (C) | 71.1 |
| 12 (CH3) | 26.7 |
| 13 (CH3) | 25.4 |
| 14 (CH3) | 27.3 |
| 15 (CH3) | 16.1 |
| 1' (CH2) | 70.5 |
| 2' (C) | 137.8 |
| 3' (CH) | 127.9 |
| 4' (CH) | 128.7 |
| 5' (CH) | 127.4 |
| 6' (CH) | 128.7 |
| 7' (CH) | 127.9 |
