Spektraris NMR
Polyodonine
Common Name: Polyodonine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)10-14(21)19(25-20)7-8-23-11-19/h7-8,12-13,15H,4-6,9-11H2,1-3H3/t12-,13-,15+,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=JJFPECOASGDKQV-WBTYJLFFSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hatam, N.A.R., Porzel, A., Seifert, K. Phytochemistry (1995) 40, 1575-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 28.3 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 28.1 |
| 4 (C) | 44 |
| 5 (CH) | 44.3 |
| 6 (CH) | 75.5 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 31.3 |
| 9 (C) | 84.6 |
| 10 (C) | 38.5 |
| 11 (CH2) | 40 |
| 12 (C) | 212.5 |
| 13 (C) | 92.7 |
| 14 (CH) | 102.7 |
| 15 (CH) | 151.4 |
| 16 (CH2) | 77.9 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 22.5 |
| 19 (C) | 183.4 |
| 20 (CH3) | 23.7 |
