Spektraris NMR
Ileabethin
Common Name: Ileabethin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-11-7-8-14-13(3)21(10-9-20(4,5)24-21)17-12(2)19(23-6)18(22)15(11)16(14)17/h9-11,13-14,22H,7-8H2,1-6H3/t11-,13+,14+,21-/m0/s1
InChIKey: InChIKey=SCJKUDFVLTYOSO-KNLKSIEXSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Rodriguez, I.I. Tetrahedron Lett (2002) 43, 5601-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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) | 130 |
| 2 (C) | 100.4 |
| 3 (CH) | 52 |
| 4 (CH) | 45.7 |
| 5 (CH2) | 28.3 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 29.4 |
| 8 (C) | 122.9 |
| 9 (C) | 147.2 |
| 10 (C) | 144.4 |
| 11 (C) | 132.5 |
| 12 (C) | 125 |
| 13 (C) | 142 |
| 14 (CH) | 135.6 |
| 15 (C) | 87.2 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 28.7 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 21 |
| 20 (CH3) | 11.8 |
| 10a (CH3) | 60.7 |
