Spektraris NMR
Mangicol F
Common Name: Mangicol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O3/c1-15-9-10-25-16(2)7-8-17(25)20-23(5,13-18(15)25)11-12-24(20,6)14-19(26)21(27)22(3,4)28/h13,15-17,19-20,26,28H,7-12,14H2,1-6H3/t15-,16-,17-,19?,20-,23+,24+,25-/m0/s1
InChIKey: InChIKey=OWRYVHDLTBKQPH-MLQQDWCLSA-N
Formula: C25H40O3
Molecular Weight: 388.584242
Exact Mass: 388.297745
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Renner, M.K., Jensen, P.R., Fenical, W. J Org Chem (2000) 65, 4843-52
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Mangicols; 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 (CH) | 58 |
| 2 (CH) | 47.8 |
| 3 (CH2) | 33 |
| 4 (CH2) | 33.5 |
| 5 (CH) | 42.5 |
| 6 (C) | 57.5 |
| 7 (CH2) | 45 |
| 8 (CH2) | 31.9 |
| 9 (CH) | 38.4 |
| 10 (C) | 145.2 |
| 11 (CH) | 131.3 |
| 12 (C) | 45.6 |
| 13 (CH2) | 40.3 |
| 14 (CH2) | 38.8 |
| 15 (C) | 46.9 |
| 16 (CH2) | 49.6 |
| 17 (CH) | 73.1 |
| 18 (C) | 217.7 |
| 19 (C) | 77.6 |
| 20 (CH3) | 28.2 |
| 21 (CH3) | 28.6 |
| 22 (CH3) | 24.8 |
| 23 (CH3) | 22.5 |
| 24 (CH3) | 22 |
| 25 (CH3) | 30.6 |
