Spektraris NMR
Fibrauretinoside A
Common Name: Fibrauretinoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O12/c1-23-8-13(12-5-7-34-11-12)36-21(31)25(23,33)9-16-24(2)15(23)4-3-6-26(24,22(32)37-16)38-20-19(30)18(29)17(28)14(10-27)35-20/h3,5-7,11,13-20,27-30,33H,4,8-10H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,20-,23-,24-,25-,26-/m0/s1
InChIKey: InChIKey=WNOWXHZXFDFPBC-WEYSNVRMSA-N
Formula: C26H32O12
Molecular Weight: 536.526097
Exact Mass: 536.189376
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 (CH2) | 22.4 |
| 2 (CH) | 132.2 |
| 3 (CH) | 122.1 |
| 4 (C) | 77.9 |
| 5 (C) | 42.5 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 31.8 |
| 8 (C) | 86.5 |
| 9 (C) | 49.3 |
| 10 (CH) | 40.8 |
| 11 (CH2) | 48 |
| 12 (CH) | 71.7 |
| 13 (C) | 126.5 |
| 14 (CH) | 110.4 |
| 15 (CH) | 140.4 |
| 16 (CH) | 143.6 |
| 17 (C) | 174.7 |
| 18 (C) | 174.9 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 19.6 |
| 1' (CH) | 98.3 |
| 2' (CH) | 73.6 |
| 3' (CH) | 77.4 |
| 4' (CH) | 70.1 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 60.9 |
