Spektraris NMR
20-O-Acetylneoavarol
Common Name: 20-O-Acetylneoavarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(26-17(3)24)9-10-20(18)25/h9-10,13,16,21,25H,1,6-8,11-12,14H2,2-5H3/t16-,21+,22+,23+/m0/s1
InChIKey: InChIKey=DGNYBWKDKZPJTB-RAKGIWIYSA-N
Formula: C23H32O3
Molecular Weight: 356.499245
Exact Mass: 356.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Perez-Garcia, E., Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2005) 68, 653-8
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 23.2 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 33 |
| 4 (C) | 159.9 |
| 5 (C) | 40.2 |
| 6 (CH2) | 36.5 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 36.3 |
| 9 (C) | 42.1 |
| 10 (CH) | 48.2 |
| 11 (CH2) | 102.9 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 17.5 |
| 15 (CH2) | 37.5 |
| 1' (C) | 126.3 |
| 2' (C) | 152.3 |
| 3' (CH) | 115.8 |
| 4' (CH) | 120 |
| 5' (C) | 143.6 |
| 6' (CH) | 125.4 |
| 3'a (C) | 169.9 |
| 3'b (CH3) | 21.1 |
