Spektraris NMR
Cyrneine D
Common Name: Cyrneine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12(2)14-10-17(23)19(4)8-7-18(3)15(20(14,19)24)6-5-13(11-21)9-16(18)22/h5,10-12,15,24H,6-9H2,1-4H3/t15-,18+,19-,20+/m0/s1
InChIKey: InChIKey=GQLHFHBRWGRYNE-JOCLIGHLSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Marcotullio, M.C., Pagiotti, R., Maltese, F., Mwankie, G.N.O., Hoshino, T., Obara, Y., Nakahata, N. Bioorg Med Chem (2007) 15, 2878-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 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) | 212.5 |
| 2 (CH) | 127 |
| 3 (C) | 187 |
| 4 (C) | 82.6 |
| 5 (CH) | 44.8 |
| 6 (C) | 52.2 |
| 7 (CH2) | 31.6 |
| 8 (CH2) | 31.7 |
| 9 (C) | 53.7 |
| 10 (CH2) | 28.1 |
| 11 (CH) | 155.1 |
| 12 (C) | 136.2 |
| 13 (CH2) | 34.6 |
| 14 (C) | 211.7 |
| 15 (CH) | 193.2 |
| 16 (CH3) | 15.3 |
| 17 (CH3) | 14.7 |
| 18 (CH) | 30.5 |
| 19 (CH3) | 24.5 |
| 20 (CH3) | 21.3 |
