Spektraris NMR
Frajunolides E
Common Name: Frajunolides E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)23(14(2)12-20(35-16(4)29)24(27)37-18(6)31)25(38-19(7)32)28(34)15(3)26(33)39-22(28)11-13/h11,15,20-25,34H,2,9-10,12H2,1,3-8H3/b13-11-/t15-,20-,21-,22-,23+,24-,25-,27+,28-/m0/s1
InChIKey: InChIKey=SHBNTXRJWGWSCS-XPCYMWSLSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liaw, C.C., Shen, Y.C., Lin, Y.S., Hwang, T.L., Kuo, Y.H., Khalil, A.T. J Nat Prod (2008) 71, 1551-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 46.8 |
| 2 (CH) | 73.9 |
| 3 (CH2) | 35 |
| 4 (CH2) | 29 |
| 5 (C) | 145.4 |
| 6 (CH) | 119.8 |
| 7 (CH) | 78.3 |
| 8 (C) | 82.2 |
| 9 (CH) | 71.7 |
| 10 (CH) | 41.4 |
| 11 (C) | 146.8 |
| 12 (CH2) | 30.3 |
| 13 (CH) | 68.7 |
| 14 (CH) | 73.5 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 26.3 |
| 17 (CH) | 43.2 |
| 18 (CH3) | 6.6 |
| 19 (C) | 176 |
| 20 (CH2) | 115.6 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.2 |
| 9a (C) | 169.4 |
| 9b (CH3) | 21.7 |
| 13a (C) | 170.5 |
| 13b (CH3) | 20.9 |
| 14a (C) | 170.3 |
| 14b (CH3) | 20.9 |
