Spektraris NMR
Ptychonolide
Common Name: Ptychonolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-13-5-4-6-17-19(13,3)11-16-14(2)20(17,18(21)23-16)9-7-15-8-10-22-12-15/h5,8,10,12,14,16-17H,4,6-7,9,11H2,1-3H3/t14-,16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=ZPVBIJINMBNDCY-WGLCMCTQSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tang, W., Hioki, H., Harada, K., Kubo, M., Fukuyama, Y. J Nat Prod (2008) 71, 1760-3
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) | 18.4 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 119.4 |
| 4 (C) | 145.2 |
| 5 (C) | 38.1 |
| 6 (CH2) | 38.2 |
| 7 (CH) | 82.4 |
| 8 (CH) | 47.9 |
| 9 (C) | 50.2 |
| 10 (CH) | 47.5 |
| 11 (CH2) | 27 |
| 12 (CH2) | 18.6 |
| 13 (C) | 124.2 |
| 14 (CH) | 110.6 |
| 15 (CH) | 143 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 14.4 |
| 18 (CH3) | 18 |
| 19 (CH3) | 23.9 |
| 20 (C) | 179.4 |
