Spektraris NMR
Agallochaol D
Common Name: Agallochaol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-18(2)13-6-5-11-16(19(13,3)8-7-14(18)22)12(21)9-20(4)15(23)10-24-17(11)20/h5,12-17,21-23H,6-10H2,1-4H3/t12-,13+,14-,15-,16-,17-,19+,20-/m1/s1
InChIKey: InChIKey=CTPOACOXOBCZPS-SOJUVPGHSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
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 : 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) | 33.8 |
| 2 (CH2) | 26 |
| 3 (CH) | 76.5 |
| 4 (C) | 38 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 133.4 |
| 8 (C) | 133.8 |
| 9 (CH) | 55.9 |
| 10 (C) | 36.7 |
| 11 (CH) | 68.5 |
| 12 (CH2) | 37.2 |
| 13 (C) | 44.1 |
| 14 (CH) | 90.1 |
| 15 (CH) | 80.8 |
| 16 (CH2) | 71.6 |
| 17 (CH3) | 21.6 |
| 18 (CH3) | 29.2 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 15 |
