Spektraris NMR
Abrotandiol
Common Name: Abrotandiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11(2)12-8-13-14(18(22)17(12)21)10-20-7-5-6-19(3,4)16(20)9-15(13)23-20/h8,11,15-16,21-22H,5-7,9-10H2,1-4H3/t15-,16+,20-/m1/s1
InChIKey: InChIKey=FTWYPGDUWLQFCC-GQIGUUNPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khaliq, S., Volk, F.J., Frahm, A.W. Planta Med (2007) 73, 77-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 30.8 |
| 2 (CH2) | 16.2 |
| 3 (CH2) | 32.3 |
| 4 (C) | 31.9 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 39.7 |
| 7 (CH) | 76.1 |
| 8 (C) | 134.4 |
| 9 (C) | 116.5 |
| 10 (C) | 80 |
| 11 (C) | 141.5 |
| 12 (C) | 139.4 |
| 13 (C) | 131.9 |
| 14 (CH) | 112.8 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 30.6 |
| 20 (CH2) | 38.8 |
