Spektraris NMR
15,16.Epoxy,1,3,13(16),14-clerodatetraene-17,12:18,6-diolide
Common Name: 15,16.Epoxy,1,3,13(16),14-clerodatetraene-17,12:18,6-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-19-9-14(11-6-7-23-10-11)24-18(22)13(19)8-16-20(2)12(17(21)25-16)4-3-5-15(19)20/h3-7,10,13-16H,8-9H2,1-2H3/t13-,14-,15+,16-,19-,20+/m0/s1
InChIKey: InChIKey=XEZOJYUGDLQLHQ-VNXBCOTQSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Naβ, K., Becker, H. Phytochemistry (1998) 48, 681-5
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) | 128.9 |
| 2 (CH) | 125.6 |
| 3 (CH) | 128.4 |
| 4 (C) | 132.5 |
| 5 (C) | 37.9 |
| 6 (CH) | 83.8 |
| 7 (CH2) | 27.3 |
| 8 (CH) | 45.6 |
| 9 (C) | 36.3 |
| 10 (CH) | 50.9 |
| 11 (CH2) | 45 |
| 12 (CH) | 71.5 |
| 13 (C) | 124.6 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.6 |
| 17 (C) | 170 |
| 18 (C) | 168.6 |
| 19 (CH3) | 26.8 |
| 20 (CH3) | 15 |
