Spektraris NMR
Eupakirunsin A
Common Name: Eupakirunsin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-6-8(2)18(22)24-11-7-9(3)13(21)15-16(25-15)20(5)17(27-20)14-12(11)10(4)19(23)26-14/h6,11-17,21H,3-4,7H2,1-2,5H3/b8-6+/t11-,12-,13+,14+,15+,16-,17-,20-/m1/s1
InChIKey: InChIKey=TZJGMUQMUOOHID-KUJCXPCMSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Suleimenov, E.M., Morozova, O.V., Raidugin, V.A., Gatilov, Y.V., Rybalova, T.V., Shakirov, M.M., Seidakhmetov, R., Aksartov, R.M., Adekenov, S.M. Chem Nat Compd (2005) 41, 556-60
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) | 76.3 |
| 2 (CH) | 49.8 |
| 3 (CH) | 65.2 |
| 4 (C) | 66.3 |
| 5 (CH) | 51.7 |
| 6 (CH) | 77 |
| 7 (CH) | 48.5 |
| 8 (CH) | 68.3 |
| 9 (CH2) | 37.9 |
| 10 (C) | 140.8 |
| 11 (C) | 134 |
| 12 (C) | 169.4 |
| 13 (CH2) | 122.6 |
| 14 (CH2) | 120.4 |
| 15 (CH3) | 18.5 |
| 8a (C) | 167.3 |
| 8b (C) | 128.1 |
| 8c (CH) | 138.4 |
| 8d (CH3) | 14.5 |
| 8ba (CH3) | 12.1 |
