Spektraris NMR
Euglobal-In-I
Common Name: Euglobal-In-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/c1-15(2)11-21-22-24(32)19(13-29)23(31)20(14-30)25(22)33-26-27(21,6)9-10-28(26)12-18(16(3)4)8-7-17(28)5/h12-17,21,26,31-32H,7-11H2,1-6H3/t17?,21-,26+,27-,28-/m0/s1
InChIKey: InChIKey=AKEMSUMCOQBHPY-QITXSEBGSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takasaki, M., Konoshima, T., Kozuka, M., Haruna, M., Ito, K., Crow, W.D., Paton, D.M. Chem Pharm Bull (1994) 42, 2113-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Miscellanea; 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) | 53.93 |
| 2 (CH2) | 34.99 |
| 3 (CH2) | 39.08 |
| 4 (C) | 45.38 |
| 5 (CH) | 96.03 |
| 6 (CH) | 123.31 |
| 7 (C) | 143.56 |
| 8 (CH2) | 25.98 |
| 9 (CH2) | 21.85 |
| 10 (CH) | 31.78 |
| 11 (CH) | 35.08 |
| 12 (CH3) | 21.42 |
| 13 (CH3) | 21.87 |
| 14 (CH3) | 14.58 |
| 15 (CH3) | 28.38 |
| 1' (C) | 108.52 |
| 2' (C) | 164.56 |
| 3' (C) | 104.56 |
| 4' (C) | 168.17 |
| 5' (C) | 103.93 |
| 6' (C) | 168.46 |
| 7' (CH) | 36.71 |
| 8' (CH) | 191.88 |
| 9' (CH) | 191.86 |
| 10' (CH2) | 41.09 |
| 11' (CH) | 25.86 |
| 12' (CH3) | 24.46 |
| 13' (CH3) | 21.82 |
