Spektraris NMR
5-benzyloxy-7-hydroxy-9a,10a-epoxy-7,11-heliannane
Common Name: 5-benzyloxy-7-hydroxy-9a,10a-epoxy-7,11-heliannane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O4/c1-14-10-18-16(11-17(14)24-13-15-8-6-5-7-9-15)22(4,23)12-19-20(25-19)21(2,3)26-18/h5-11,19-20,23H,12-13H2,1-4H3/t19-,20-,22+/m0/s1
InChIKey: InChIKey=STJRLEGGVAWFAD-JAXLGGSGSA-N
Formula: C22H26O4
Molecular Weight: 354.440269
Exact Mass: 354.183109
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) | 126.2 |
| 2 (C) | 153.7 |
| 3 (CH) | 128.5 |
| 4 (C) | 127.6 |
| 5 (C) | 151.4 |
| 6 (CH) | 110.6 |
| 7 (C) | 70.1 |
| 8 (CH2) | 42 |
| 9 (CH) | 55.9 |
| 10 (CH) | 59.6 |
| 11 (C) | 74.1 |
| 12 (CH3) | 29.3 |
| 13 (CH3) | 27.4 |
| 14 (CH3) | 34.2 |
| 15 (CH3) | 16 |
| 1' (CH2) | 79.9 |
| 2' (C) | 143.2 |
| 3' (CH) | 127.2 |
| 4' (CH) | 128.3 |
| 5' (CH) | 127.6 |
| 6' (CH) | 128.3 |
| 7' (CH) | 127.2 |
