Spektraris NMR
Montanol
Common Name: Montanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16?,20-,21+/m1/s1
InChIKey: InChIKey=CFWFJIRDZVFKJB-XRSCVHDRSA-N
Formula: C21H36O4
Molecular Weight: 352.508941
Exact Mass: 352.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oshima, Y., Cordell, G.A., Fong, H.H.S. Phytochemistry (1986) 25, 2567-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Oxepanes; 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) | 58.2 |
| 2 (CH) | 123.6 |
| 3 (C) | 142.4 |
| 4 (CH2) | 23.8 |
| 5 (CH2) | 31.5 |
| 6 (CH) | 76.6 |
| 7 (C) | 80 |
| 8 (CH2) | 38.5 |
| 9 (CH2) | 20.9 |
| 10 (CH2) | 33.7 |
| 11 (CH) | 47.2 |
| 12 (C) | 209.7 |
| 13 (CH) | 120.3 |
| 14 (C) | 164.4 |
| 15 (CH) | 38.3 |
| 16 (CH3) | 20.9 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 17.6 |
| 20 (CH2) | 68.9 |
| 21 (CH3) | 16.9 |
