Spektraris NMR
Cladiellaperoxide
Common Name: Cladiellaperoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-11(2)14-7-6-12(3)17-16-10-13(4)15(24-22)8-9-20(5,21)19(23-16)18(14)17/h11,14-19,21-22H,3-4,6-10H2,1-2,5H3/t14-,15+,16-,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=YTDPGSFBSYYROT-UVIHBWEYSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yamada, K., Ogata, N., Ryu, K., Miyamoto, T., Komori, T., Higuchi, R. J Nat Prod (1997) 60, 393-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 44.42 |
| 2 (CH) | 91.77 |
| 3 (C) | 74.09 |
| 4 (CH2) | 34.76 |
| 5 (CH2) | 29.68 |
| 6 (CH) | 86.34 |
| 7 (C) | 147.68 |
| 8 (CH2) | 40.04 |
| 9 (CH) | 79.56 |
| 10 (CH) | 47.98 |
| 11 (C) | 146.16 |
| 12 (CH2) | 31.78 |
| 13 (CH2) | 25.28 |
| 14 (CH) | 44.01 |
| 15 (CH3) | 27.09 |
| 16 (CH2) | 117.95 |
| 17 (CH2) | 111.25 |
| 18 (CH) | 27.91 |
| 19 (CH3) | 21.97 |
| 20 (CH3) | 15.14 |
