Spektraris NMR
Creolophin B
Common Name: Creolophin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-6-9(16)11-15(20-11)4-7-8(14(6,15)3)5-13(2,10(7)17)12(18)19/h7-11,16-17H,1,4-5H2,2-3H3,(H,18,19)/t7-,8-,9-,10-,11-,13-,14+,15-/m1/s1
InChIKey: InChIKey=WAKQWLLYKSZRIA-LFLQLQHVSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Opatz, T., Kolshorn, H., Birnbacher, J., Sch¸ffler, A., Deinninger, F., Anke, T. Eur J Org Chem (2007) 0, 5546-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Hirsutanes; 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) | 33.2 |
| 2 (CH) | 48.2 |
| 3 (C) | 48.6 |
| 4 (C) | 160.2 |
| 5 (CH) | 74.3 |
| 6 (CH) | 64.1 |
| 7 (C) | 75.5 |
| 8 (CH2) | 22.6 |
| 9 (CH) | 44.3 |
| 10 (CH) | 75.5 |
| 11 (C) | 58.5 |
| 12 (C) | 178.4 |
| 13 (CH3) | 19.7 |
| 14 (CH3) | 15 |
| 15 (CH2) | 110.3 |
