Spektraris NMR
Boletinin E
Common Name: Boletinin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O5/c1-19(10-6-12-21(3)16-17-25)8-5-9-20(2)11-7-13-22(4)18-29-24(28)15-14-23(26)27/h9-10,13-16,25H,5-8,11-12,17-18H2,1-4H3,(H,26,27)/b15-14+,19-10+,20-9+,21-16+,22-13+
InChIKey: InChIKey=AEHIZBVRKDBILT-KCSPCAOWSA-N
Formula: C24H36O5
Molecular Weight: 404.540553
Exact Mass: 404.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Sato, K., Sen, K., Shibata, H., Hirota, M. J Nat Prod (2004) 67, 958-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH2) | 59.5 |
| 2 (CH) | 123 |
| 3 (C) | 140.1 |
| 4 (CH2) | 39.7 |
| 5 (CH2) | 26.7 |
| 6 (CH) | 125 |
| 7 (C) | 135.4 |
| 8 (CH2) | 39.4 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 123.8 |
| 11 (C) | 134.1 |
| 12 (CH2) | 38.9 |
| 13 (CH2) | 26.1 |
| 14 (CH) | 129.9 |
| 15 (C) | 129.2 |
| 16 (CH2) | 71 |
| 17 (CH3) | 14 |
| 18 (CH3) | 16 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 16.3 |
| 16a (C) | 164.7 |
| 16b (CH) | 132.9 |
| 16c (CH) | 135 |
| 16d (C) | 167.3 |
