Spektraris NMR
Cladiellisin
Common Name: Cladiellisin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-11(2)14-7-6-12(3)17-16-10-13(4)15(21)8-9-20(5,22)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=KIZAKRQUJAYYGA-UVIHBWEYSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 91.87 |
| 3 (C) | 74.09 |
| 4 (CH2) | 35.58 |
| 5 (CH2) | 31.81 |
| 6 (CH) | 72.86 |
| 7 (C) | 152.2 |
| 8 (CH2) | 39.27 |
| 9 (CH) | 79.72 |
| 10 (CH) | 47.71 |
| 11 (C) | 146.29 |
| 12 (CH2) | 35.12 |
| 13 (CH2) | 25.3 |
| 14 (CH) | 44.12 |
| 15 (CH3) | 27.03 |
| 16 (CH2) | 116.62 |
| 17 (CH2) | 111.18 |
| 18 (CH) | 27.92 |
| 19 (CH3) | 21.88 |
| 20 (CH3) | 15.17 |
