Spektraris NMR
Agallochaol C
Common Name: Agallochaol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13(2)15-5-9-19-8-4-14(20(24,11-19)12-21)10-16(19)18(15,3)7-6-17(22)23/h14-16,21,24H,1,4-12H2,2-3H3,(H,22,23)/t14-,15+,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=JGJYHLOAFWCFID-ICHMTLFLSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, J.D., Li, Z.Y., Guo, Y.W. Helv Chim Acta (2005) 88, 979-85
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 35.5 |
| 2 (CH2) | 30.1 |
| 3 (C) | 179 |
| 4 (C) | 149.5 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 40 |
| 8 (C) | 34.5 |
| 9 (CH) | 44.7 |
| 10 (C) | 41.2 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 33.7 |
| 13 (CH2) | 24.7 |
| 14 (CH2) | 28.7 |
| 15 (CH2) | 53.9 |
| 16 (C) | 75.5 |
| 17 (CH2) | 70.1 |
| 18 (CH3) | 24.6 |
| 19 (CH2) | 114.4 |
| 20 (CH3) | 18.9 |
