Spektraris NMR
Cacofuran A
Common Name: Cacofuran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15(23)26-17(12-16-7-11-24-13-16)19-21(4)10-6-18-20(2,3)8-5-9-22(18,19)14-25-21/h7,11,13,17-19H,5-6,8-10,12,14H2,1-4H3/t17-,18-,19-,21-,22+/m0/s1
InChIKey: InChIKey=HOUBMYFLCZPEKT-YOWRRBNZSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
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) | 33.3 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.9 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 42.2 |
| 8 (C) | 82 |
| 9 (CH) | 59.6 |
| 10 (C) | 49.4 |
| 11 (CH) | 73.4 |
| 12 (CH2) | 28.7 |
| 13 (C) | 122.1 |
| 14 (CH) | 111.2 |
| 15 (CH) | 143.5 |
| 16 (CH) | 140 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.8 |
| 20 (CH2) | 74.3 |
| 11a (C) | 169.7 |
| 11b (CH3) | 21.1 |
