Spektraris NMR
3,12-dioxo-15,16-epoxy-4-hydroxy-cleroda-13(16),14-diene
Common Name: 3,12-dioxo-15,16-epoxy-4-hydroxy-cleroda-13(16),14-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-7-9-19(3)16(5-6-17(22)20(19,4)23)18(13,2)11-15(21)14-8-10-24-12-14/h8,10,12-13,16,23H,5-7,9,11H2,1-4H3/t13-,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=CBHDHTBGWBZUQE-NLMIBYRWSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krebs, H.C., Ramiarantsoa, H. Phytochemistry (1996) 41, 561-3
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) | 23.7 |
| 2 (CH2) | 36.1 |
| 3 (C) | 215 |
| 4 (C) | 81.5 |
| 5 (C) | 45.2 |
| 6 (CH2) | 31.1 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 37.4 |
| 9 (C) | 42 |
| 10 (CH) | 42.5 |
| 11 (CH2) | 47 |
| 12 (C) | 195 |
| 13 (C) | 129.7 |
| 14 (CH) | 108.7 |
| 15 (CH) | 144.4 |
| 16 (CH) | 146.8 |
| 17 (CH3) | 14.9 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 17.8 |
