Spektraris NMR
Polystachyne C
Common Name: Polystachyne C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-9-13-5-19-8-23-17(21)11(19)4-12-15(24-12)16(19)20(9)6-14(26-18(20)25-13)10-2-3-22-7-10/h2-3,7,9,11-16,18H,4-6,8H2,1H3/t9-,11+,12-,13-,14-,15-,16-,18-,19-,20-/m1/s1
InChIKey: InChIKey=CYIQXXCGDFOHBI-LBUDQIFQSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Ortega, A. Phytochemistry (2000) 53, 103-9
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 (CH) | 52.9 |
| 2 (CH) | 48.9 |
| 3 (CH2) | 22.3 |
| 4 (CH) | 44.6 |
| 5 (C) | 40.5 |
| 6 (CH2) | 43.7 |
| 7 (CH) | 86.5 |
| 8 (CH) | 39.8 |
| 9 (C) | 58.8 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 38.5 |
| 12 (CH) | 75.2 |
| 13 (C) | 128.6 |
| 14 (CH) | 108.2 |
| 15 (CH) | 143.8 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 14.7 |
| 18 (C) | 178.3 |
| 19 (CH2) | 80.7 |
| 20 (CH) | 110.2 |
