Spektraris NMR
Polystachyne D
Common Name: Polystachyne D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-19-7-14(10-3-5-23-8-10)26-18(22)11(19)2-4-20-9-24-17(21)12(20)6-13-15(25-13)16(19)20/h3,5,8,11-16H,2,4,6-7,9H2,1H3/t11-,12+,13+,14-,15+,16+,19+,20-/m1/s1
InChIKey: InChIKey=BDWVNKPNDKVTME-DKGBEWMESA-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) | 51.5 |
| 2 (CH) | 49.9 |
| 3 (CH2) | 23.8 |
| 4 (CH) | 40.1 |
| 5 (C) | 38.2 |
| 6 (CH2) | 35.9 |
| 7 (CH2) | 21 |
| 8 (CH) | 47.8 |
| 9 (C) | 35.4 |
| 10 (CH) | 44.7 |
| 11 (CH2) | 34.3 |
| 12 (CH) | 70.8 |
| 13 (C) | 125.8 |
| 14 (CH) | 108.2 |
| 15 (CH) | 144 |
| 16 (CH) | 139.3 |
| 17 (C) | 172.5 |
| 18 (C) | 178.3 |
| 19 (CH2) | 74.9 |
| 20 (CH3) | 31.6 |
