Spektraris NMR
3,12-Dioxo-15,16-epoxy-cleroda-13(16),14-dien-9-al
Common Name: 3,12-Dioxo-15,16-epoxy-cleroda-13(16),14-dien-9-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-6-8-19(3)14(2)16(22)4-5-18(19)20(13,12-21)10-17(23)15-7-9-24-11-15/h7,9,11-14,18H,4-6,8,10H2,1-3H3/t13-,14+,18+,19+,20-/m1/s1
InChIKey: InChIKey=WXHIUIPPERUWBD-JDXGUBFVSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krebs, H.C., Ramiarantsoa, H. Phytochemistry (1997) 45, 379-81
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 (CH2) | 23.9 |
| 2 (CH2) | 38 |
| 3 (C) | 211.7 |
| 4 (CH) | 56.7 |
| 5 (C) | 41.4 |
| 6 (CH2) | 41 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 35.3 |
| 9 (C) | 55.3 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 38.5 |
| 12 (C) | 193.7 |
| 13 (C) | 129 |
| 14 (CH) | 108.5 |
| 15 (CH) | 144.5 |
| 16 (CH) | 147.2 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 7.1 |
| 19 (CH3) | 15.4 |
| 20 (CH) | 205.1 |
