Spektraris NMR
Kallolide C acetate
Common Name: Kallolide C acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-10(2)15-8-7-14-9-16(29-22(14)27)17(11(3)4)20(26)18(24)12(5)19(25)21(15)28-13(6)23/h9,15-17,21,24H,1,3,7-8H2,2,4-6H3/b18-12+/t15-,16+,17+,21-/m0/s1
InChIKey: InChIKey=KFOAFRGWCVUHFY-XPIXLHGCSA-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) | 44.1 |
| 2 (CH) | 68.2 |
| 3 (C) | 180.9 |
| 4 (C) | 111 |
| 5 (C) | 99.9 |
| 6 (C) | 201.6 |
| 7 (CH) | 51 |
| 8 (CH) | 78.9 |
| 9 (CH) | 145 |
| 10 (C) | 135.6 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 28.8 |
| 13 (C) | 143.3 |
| 14 (CH2) | 114.6 |
| 15 (CH3) | 18.2 |
| 16 (CH3) | 6.4 |
| 17 (C) | 139.4 |
| 18 (CH2) | 119.7 |
| 19 (CH3) | 23.9 |
| 20 (C) | 174.3 |
| 2a (C) | 170.3 |
| 2b (CH3) | 20.4 |
