Spektraris NMR
Eupakirunsin E
Common Name: Eupakirunsin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-6-9(2)18(22)26-13-8-20(5,24)17-16(27-17)15(21)10(3)7-12-14(13)11(4)19(23)25-12/h6-7,12-14,16-17,24H,4,8H2,1-3,5H3/b9-6+,10-7-/t12-,13-,14+,16+,17-,20-/m1/s1
InChIKey: InChIKey=RFSYEWLTJLURJR-ZDUFIEMESA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lo, K.L., Kuo, Y.H., Khalil, A.T. J Nat Prod (2005) 68, 745-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 58.2 |
| 2 (CH) | 65.7 |
| 3 (C) | 193.7 |
| 4 (C) | 137.2 |
| 5 (CH) | 141.5 |
| 6 (CH) | 75.3 |
| 7 (CH) | 49.9 |
| 8 (CH) | 73.5 |
| 9 (CH2) | 42.4 |
| 10 (C) | 70.1 |
| 11 (C) | 135.5 |
| 12 (C) | 169 |
| 13 (CH2) | 125.1 |
| 14 (CH3) | 26 |
| 15 (CH3) | 20.3 |
| 8a (C) | 167.1 |
| 8b (C) | 127.7 |
| 8c (CH) | 139.7 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 11.9 |
