Spektraris NMR
Fibrauretin A
Common Name: Fibrauretin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O8/c1-18-6-10(8-3-4-25-7-8)26-16(22)11(18)9(21)5-19(2)14(18)12-13-15(27-13)20(19,24)17(23)28-12/h3-4,7,9-15,21,24H,5-6H2,1-2H3/t9-,10+,11-,12+,13-,14-,15-,18+,19+,20-/m0/s1
InChIKey: InChIKey=PYRTUYSUPAFERK-HIKGYAAUSA-N
Formula: C20H22O8
Molecular Weight: 390.384654
Exact Mass: 390.131468
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Su, C.R., Ueng, Y.F., Dung, N.X., Vijaya Bhaskar Reddy, M., Wu, T.S. J Nat Prod (2007) 70, 1930-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 71 |
| 2 (CH) | 49 |
| 3 (CH) | 52 |
| 4 (C) | 80.1 |
| 5 (C) | 41.7 |
| 6 (CH2) | 28.1 |
| 7 (CH) | 49.6 |
| 8 (CH) | 45 |
| 9 (C) | 36.1 |
| 10 (CH) | 53.5 |
| 11 (CH2) | 48.9 |
| 12 (CH) | 69.5 |
| 13 (C) | 124.3 |
| 14 (CH) | 109.5 |
| 15 (CH) | 144.1 |
| 16 (CH) | 140.8 |
| 17 (C) | 174.3 |
| 18 (C) | 171.8 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 29 |
