Spektraris NMR
Dugesin A
Common Name: Dugesin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-11-14-3-2-4-15-19(22)24-10-20(14,15)7-5-13-16(11)17(25-18(13)21)12-6-8-23-9-12/h4,6,8-9,17H,2-3,5,7,10H2,1H3/t17-,20-/m0/s1
InChIKey: InChIKey=ZDTSKNVEGNGEGL-PXNSSMCTSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, G., Peng, L.Y., Niu, X.M., Zhao, Q.S., Li, R.T., Sun, H.D. Helv Chim Acta (2004) 87, 949-55
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) | 29.8 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 136.3 |
| 4 (C) | 135.5 |
| 5 (C) | 46.9 |
| 6 (CH2) | 35.3 |
| 7 (CH2) | 22.6 |
| 8 (C) | 127.5 |
| 9 (C) | 124.5 |
| 10 (C) | 147.3 |
| 11 (C) | 159.7 |
| 12 (CH) | 75.5 |
| 13 (C) | 121.6 |
| 14 (CH) | 109 |
| 15 (CH) | 144.5 |
| 16 (CH) | 142.2 |
| 17 (C) | 167.3 |
| 18 (C) | 168.4 |
| 19 (CH2) | 71.1 |
| 20 (CH3) | 16.5 |
