Spektraris NMR
Cyrneine C
Common Name: Cyrneine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-12(2)14-10-17(23)20(4)8-7-19(3)15(18(14)20)6-5-13(11-21)9-16(19)22/h5,10-12,15,18H,6-9H2,1-4H3/t15-,18+,19-,20+/m1/s1
InChIKey: InChIKey=UVDJGUGLTDSECX-NMLACTOBSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
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) | 212.7 |
| 2 (CH) | 128.5 |
| 3 (C) | 188.6 |
| 4 (CH) | 54.1 |
| 5 (CH) | 38 |
| 6 (C) | 51.1 |
| 7 (CH2) | 32.7 |
| 8 (CH2) | 30.7 |
| 9 (C) | 49.7 |
| 10 (CH2) | 33.7 |
| 11 (CH) | 152.1 |
| 12 (C) | 136.1 |
| 13 (CH2) | 36.7 |
| 14 (C) | 211.8 |
| 15 (CH) | 192.4 |
| 16 (CH3) | 18.9 |
| 17 (CH3) | 22.2 |
| 18 (CH) | 32.2 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 23.9 |
