Spektraris NMR
Neo-cleroda-3,13(16),14-triene-15,16-oxide
Common Name: Neo-cleroda-3,13(16),14-triene-15,16-oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-15-6-5-7-18-19(15,3)11-8-16(2)20(18,4)12-9-17-10-13-21-14-17/h6,10,13-14,16,18H,5,7-9,11-12H2,1-4H3/t16-,18+,19+,20+/m1/s1
InChIKey: InChIKey=IVBOCAVCEPSFAH-GTAWCEEGSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silveira, E.R., McChesney, J.D. Phytochemistry (1994) 36, 1457-63
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) | 18.3 |
| 2 (CH2) | 27 |
| 3 (CH) | 120.5 |
| 4 (C) | 144.4 |
| 5 (C) | 38.3 |
| 6 (CH2) | 36.4 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 37 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.6 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 18.4 |
| 13 (C) | 125.8 |
| 14 (CH) | 111 |
| 15 (CH) | 138.4 |
| 16 (CH) | 142.6 |
| 17 (CH3) | 16 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 18.3 |
