Spektraris NMR
Tomentol
Common Name: Tomentol
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/h10,15-16,20,22,24H,4,6-9,11-14H2,1-3,5H3/b18-10+/t16?,20-,21+/m1/s1
InChIKey: InChIKey=GFGVUFXKCXIGEE-HMCKVLHJSA-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) | 59.1 |
| 2 (CH) | 123.9 |
| 3 (C) | 143.5 |
| 4 (CH2) | 24.1 |
| 5 (CH2) | 32.1 |
| 6 (CH) | 77.1 |
| 7 (C) | 80.5 |
| 8 (CH2) | 38.9 |
| 9 (CH2) | 21.5 |
| 10 (CH2) | 34 |
| 11 (CH) | 46 |
| 12 (C) | 213.6 |
| 13 (CH2) | 48.2 |
| 14 (C) | 149.3 |
| 15 (CH) | 14.3 |
| 16 (CH3) | 22.1 |
| 17 (CH2) | 112.2 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 18.7 |
| 20 (CH2) | 69.7 |
| 21 (CH3) | 22.1 |
