Spektraris NMR
17,18-Epoxy-7-sacculatene-12,11-olide
Common Name: 17,18-Epoxy-7-sacculatene-12,11-olide
Synonyms: 17,18-Epoxy-7-sacculatene-12,11-olide
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18(2)16(23-18)8-11-19(3)9-5-10-20(4)14-12-22-17(21)13(14)6-7-15(19)20/h6,14-16H,5,7-12H2,1-4H3/t14-,15-,16?,19-,20+/m0/s1
InChIKey: InChIKey=DJPHHXYTHWXMOX-YHRCSFEISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2005) 66, 1094-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 39.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 37.7 |
| 4 (C) | 35 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 136.2 |
| 8 (C) | 127.3 |
| 9 (CH) | 50.9 |
| 10 (C) | 34.3 |
| 11 (CH2) | 67.2 |
| 12 (C) | 170.2 |
| 13 (CH3) | 13.9 |
| 14 (CH3) | 19.9 |
| 15 (CH2) | 40.3 |
| 16 (CH2) | 24.8 |
| 17 (CH) | 64.6 |
| 18 (C) | 58.4 |
| 19 (CH3) | 25.6 |
| 20 (CH3) | 17.6 |
