Spektraris NMR
Rubiarboside F
Common Name: Rubiarboside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O9/c1-18(2)20-14-22(40)30-35(7)11-8-19-26(34(35,6)12-13-36(20,30)17-38)21(39)15-24-32(3,4)25(9-10-33(19,24)5)45-31-29(43)28(42)27(41)23(16-37)44-31/h8,18,20-31,37-43H,9-17H2,1-7H3/t20-,21-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31-,33+,34-,35+,36+/m0/s1
InChIKey: InChIKey=ZFYXYRJUFCLSEA-NNZSUCFSSA-N
Formula: C36H60O9
Molecular Weight: 636.857582
Exact Mass: 636.423734
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liou, M.J., Wu, T.S. J Nat Prod (2002) 65, 1283-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Arborinanes; 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) | 45.3 |
| 2 (CH2) | 67.2 |
| 3 (CH) | 95.3 |
| 4 (C) | 40.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 71.9 |
| 8 (CH) | 49 |
| 9 (C) | 146.9 |
| 10 (C) | 40.2 |
| 11 (CH) | 117.6 |
| 12 (CH2) | 37.5 |
| 13 (C) | 38.3 |
| 14 (C) | 40.2 |
| 15 (CH2) | 33 |
| 16 (CH2) | 33.3 |
| 17 (C) | 48.9 |
| 18 (CH) | 59.9 |
| 19 (CH) | 70.5 |
| 20 (CH2) | 43.4 |
| 21 (CH) | 58 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 18 |
| 25 (CH3) | 22.8 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 16.7 |
| 28 (CH2) | 62.8 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 23.6 |
| 1' (CH) | 106.5 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.4 |
