Spektraris NMR
5-benzyloxy-10a-hydroxy-7aH,11-heliannane
Common Name: 5-benzyloxy-10a-hydroxy-7aH,11-heliannane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-15-10-11-21(23)22(3,4)25-20-12-16(2)19(13-18(15)20)24-14-17-8-6-5-7-9-17/h5-9,12-13,15,21,23H,10-11,14H2,1-4H3/t15-,21-/m0/s1
InChIKey: InChIKey=KKRCBCQHJRVVRP-BTYIYWSLSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
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) | 124.9 |
| 2 (C) | 153.7 |
| 3 (CH) | 126.9 |
| 4 (C) | 124.4 |
| 5 (C) | 146 |
| 6 (CH) | 109.4 |
| 7 (CH) | 31.7 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 35.9 |
| 10 (CH) | 75.7 |
| 11 (C) | 82.6 |
| 12 (CH3) | 23.1 |
| 13 (CH3) | 20.9 |
| 14 (CH3) | 25.6 |
| 15 (CH3) | 16 |
| 1' (CH2) | 70.4 |
| 2' (C) | 137.6 |
| 3' (CH) | 127.3 |
| 4' (CH) | 128.4 |
| 5' (CH) | 127.7 |
| 6' (CH) | 128.4 |
| 7' (CH) | 127.3 |
