Spektraris NMR
Agallochin G
Common Name: Agallochin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-16(2)14-5-7-18-9-8-17(3,12-18)6-4-15(18)19(14)10-11-20(16,21)22-13-19/h8-9,14-15,21H,4-7,10-13H2,1-3H3/t14-,15-,17?,18+,19+,20+/m0/s1
InChIKey: InChIKey=RRYTXWAMRRHHAA-SHUSYBTNSA-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., Sreedhar, K. J Nat Prod (2002) 65, 382-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 32.5 |
| 2 (CH2) | 29.4 |
| 3 (C) | 98.2 |
| 4 (C) | 40.2 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 21 |
| 7 (CH2) | 35.7 |
| 8 (C) | 48.5 |
| 9 (CH) | 45.8 |
| 10 (C) | 35.3 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 32.5 |
| 13 (C) | 43.8 |
| 14 (CH2) | 60.2 |
| 15 (CH) | 133.1 |
| 16 (CH) | 137.2 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 18 |
| 20 (CH2) | 67.4 |
