Spektraris NMR
Kallolide I
Common Name: Kallolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-10(2)14-8-7-13-9-15(28-21(13)26)16(11(3)4)17(24)20-22(6,29-20)19(25)18(14)27-12(5)23/h9,14-16,18,20H,1,3,7-8H2,2,4-6H3/t14-,15+,16+,18-,20+,22-/m0/s1
InChIKey: InChIKey=OGMAZZUHNXUKMO-CSIJZIFASA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
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) | 42.6 |
| 2 (CH) | 78.3 |
| 3 (C) | 212.7 |
| 4 (C) | 68.3 |
| 5 (CH) | 63.9 |
| 6 (C) | 198.3 |
| 7 (CH) | 56.8 |
| 8 (CH) | 79.5 |
| 9 (CH) | 145.7 |
| 10 (C) | 137.4 |
| 11 (CH2) | 20 |
| 12 (CH2) | 26.2 |
| 13 (C) | 140.8 |
| 14 (CH2) | 116.3 |
| 15 (CH3) | 17.5 |
| 16 (CH3) | 21.7 |
| 17 (C) | 137.7 |
| 18 (CH2) | 118.4 |
| 19 (CH3) | 21.8 |
| 20 (C) | 173.7 |
| 2a (C) | 172.2 |
| 2b (CH3) | 20.5 |
