Spektraris NMR
Cacofuran B
Common Name: Cacofuran B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18(2)7-4-8-20-13-23-19(3,9-5-16(18)20)17(20)15(21)11-14-6-10-22-12-14/h6,10,12,15-17,21H,4-5,7-9,11,13H2,1-3H3/t15-,16-,17-,19-,20+/m0/s1
InChIKey: InChIKey=HHLVVSUTGBWSQY-VDWQKOAOSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tanaka, J., Marriott, G., Higa, T. J Nat Prod (2001) 64, 1468-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 33.1 |
| 2 (CH2) | 20.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.8 |
| 5 (CH) | 52 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 42 |
| 8 (C) | 82.6 |
| 9 (CH) | 61 |
| 10 (C) | 49 |
| 11 (CH) | 71.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 123.3 |
| 14 (CH) | 111.5 |
| 15 (CH) | 140 |
| 16 (CH) | 143.2 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 21.6 |
| 20 (CH2) | 74.4 |
