Spektraris NMR
Agallochin D
Common Name: Agallochin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-19(4)11-13-7-8-15-18(2,3)16(22)9-10-20(15,5)17(13)14(21)12-19/h6,11,14-15,17,21H,1,7-10,12H2,2-5H3/t14-,15+,17-,19-,20+/m1/s1
InChIKey: InChIKey=FRQWGBOUKABOHN-XCVIRLNASA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L. Phytochemistry (2000) 55, 891-901
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 38.2 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.3 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 35.6 |
| 8 (C) | 134.9 |
| 9 (CH) | 58.6 |
| 10 (C) | 37.6 |
| 11 (CH) | 65.9 |
| 12 (CH2) | 43.8 |
| 13 (C) | 38.4 |
| 14 (CH) | 128.5 |
| 15 (CH) | 148.4 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 26.6 |
| 18 (CH3) | 25.8 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 15.2 |
