Spektraris NMR
Polystachyne A
Common Name: Polystachyne A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2,4-6,9,11,13-16,18H,3,7-8,10H2,1H3/t11-,13+,14-,15-,16-,18-,19-,20-/m1/s1
InChIKey: InChIKey=JQHRRMYSQRDDFZ-HSIWAIONSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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) | 128.7 |
| 2 (CH) | 127.4 |
| 3 (CH2) | 20.5 |
| 4 (CH) | 45.3 |
| 5 (C) | 42 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 86.7 |
| 8 (CH) | 39.9 |
| 9 (C) | 58.6 |
| 10 (CH) | 50.3 |
| 11 (CH2) | 38.3 |
| 12 (CH) | 75.8 |
| 13 (C) | 128.7 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.8 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 14.6 |
| 18 (C) | 175.3 |
| 19 (CH2) | 79.5 |
| 20 (CH) | 110.1 |
