Spektraris NMR
Creolophin A
Common Name: Creolophin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O5/c1-5-7(15)9-13(19-9)4-6-8-11(2,18-8)10(16)14(6,17)12(5,13)3/h6-9,15,17H,1,4H2,2-3H3/t6-,7+,8+,9+,11+,12+,13+,14+/m0/s1
InChIKey: InChIKey=MRHBYRWFKBWHSE-FQTMVLHBSA-N
Formula: C14H16O5
Molecular Weight: 264.274379
Exact Mass: 264.099774
NMR Solvent: CD3C≡N
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) | 209.1 |
| 2 (C) | 85.6 |
| 3 (C) | 54.7 |
| 4 (C) | 156.3 |
| 5 (CH) | 75.8 |
| 6 (CH) | 64.7 |
| 7 (C) | 73.9 |
| 8 (CH2) | 25.7 |
| 9 (CH) | 46.9 |
| 10 (CH) | 64.9 |
| 11 (C) | 65.3 |
| 12 (CH3) | 11 |
| 14 (CH3) | 14.9 |
| 15 (CH2) | 114.7 |
