Spektraris NMR
Creolophin D
Common Name: Creolophin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O4/c1-5-8(15)11-14(18-11)4-6-7(12(5,14)2)9(16)13(3)10(6)17-13/h6-8,10-11,15H,1,4H2,2-3H3/t6-,7+,8-,10-,11-,12+,13+,14-/m1/s1
InChIKey: InChIKey=AWFFXPNAORYYFB-PCDDCEQKSA-N
Formula: C14H16O4
Molecular Weight: 248.274974
Exact Mass: 248.104859
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 (C) | 207.6 |
| 2 (CH) | 54.9 |
| 3 (C) | 49.2 |
| 4 (C) | 157.7 |
| 5 (CH) | 73.6 |
| 6 (CH) | 63.6 |
| 7 (C) | 74.7 |
| 8 (CH2) | 25.1 |
| 9 (CH) | 35.9 |
| 10 (CH) | 64.5 |
| 11 (C) | 65.8 |
| 12 (CH3) | 10.6 |
| 14 (CH3) | 15.7 |
| 15 (CH2) | 114.8 |
