Spektraris NMR
15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide
Common Name: 15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide
Synonyms: 15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h3-5,8,11-12,14,17H,6-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1
InChIKey: InChIKey=NLSPLEIAOWRBOI-SIKIZQCASA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Juan Hikawczuk V.E., Rossomando P.C., Giordano O.S., Saad J.R. Phytochemistry (2002) 61, 389-94
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) | 136.6 |
| 2 (CH) | 121.8 |
| 3 (CH) | 128.6 |
| 4 (C) | 131.5 |
| 5 (C) | 39.8 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 23.8 |
| 8 (CH) | 35.5 |
| 9 (C) | 37.5 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 41.9 |
| 12 (CH2) | 19.7 |
| 13 (C) | 124.6 |
| 14 (CH) | 110.6 |
| 15 (CH) | 143 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 16.2 |
| 18 (C) | 169.3 |
| 19 (CH2) | 77.4 |
| 20 (CH3) | 22.2 |
