Spektraris NMR
Kallolide E
Common Name: Kallolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-9(2)13-7-6-12-8-14(25-19(12)23)15(10(3)4)20(24)18(22)11(5)17(26-20)16(13)21/h8,13-16,21,24H,1,3,6-7H2,2,4-5H3/t13-,14-,15-,16+,20+/m1/s1
InChIKey: InChIKey=AIDLGOARWPUFNT-XNXCIOHSSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marrero, J., Ospina, C.A., Rodriguez, A.D., Baran, P., Zhao, H., Franzblau, S.G., Ortega-Barria, E. Tetrahedron (2006) 62, 6998-7008
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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) | 50.2 |
| 2 (CH) | 67.1 |
| 3 (C) | 177.8 |
| 4 (C) | 113.4 |
| 5 (C) | 200.4 |
| 6 (C) | 99.5 |
| 7 (CH) | 55.7 |
| 8 (CH) | 80.4 |
| 9 (CH) | 149.4 |
| 10 (C) | 130.2 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 26.7 |
| 13 (C) | 144.7 |
| 14 (CH2) | 115.5 |
| 15 (CH3) | 17.7 |
| 16 (CH3) | 6.3 |
| 17 (C) | 142 |
| 18 (CH2) | 119.4 |
| 19 (CH3) | 23.4 |
| 20 (C) | 172.7 |
