Spektraris NMR
Peniankerine
Common Name: Peniankerine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O5/c1-18-8-14(11-3-5-22-9-11)24-17(21)13(18)2-4-19-10-23-12(6-15(18)19)7-16(19)20/h3,5,9,12-15H,2,4,6-8,10H2,1H3/t12-,13+,14+,15+,18-,19+/m0/s1
InChIKey: InChIKey=XNSOTZFPQIPNAD-AVBXNWRJSA-N
Formula: C19H22O5
Molecular Weight: 330.375703
Exact Mass: 330.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tane, P., Wabo, H.K., Ayafor, J.F., Sterner, O. Phytochemistry (1997) 46, 165-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 28.2 |
| 2 (CH) | 68.3 |
| 3 (CH2) | 45.5 |
| 4 (C) | 213.3 |
| 5 (C) | 46.4 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 18.7 |
| 8 (CH) | 48.2 |
| 9 (C) | 35.8 |
| 10 (CH) | 40 |
| 11 (CH2) | 40.4 |
| 12 (CH) | 70.5 |
| 13 (C) | 124.93 |
| 14 (CH) | 108.44 |
| 15 (CH) | 143.85 |
| 16 (CH) | 139.66 |
| 17 (C) | 171.5 |
| 18 (CH2) | 74.2 |
| 20 (CH3) | 21.8 |
