Spektraris NMR
Rubiarboside G
Common Name: Rubiarboside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,19,21-37,43-52H,9-18H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1
InChIKey: InChIKey=AASNWSYGBVDYSL-REZAIECBSA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
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) | 36.8 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89 |
| 4 (C) | 39.5 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 72.1 |
| 8 (CH) | 49.5 |
| 9 (C) | 147.4 |
| 10 (C) | 39.4 |
| 11 (CH) | 117.4 |
| 12 (CH2) | 37.6 |
| 13 (C) | 38.3 |
| 14 (C) | 40.2 |
| 15 (CH2) | 33 |
| 16 (CH2) | 33.3 |
| 17 (C) | 49.1 |
| 18 (CH) | 60.3 |
| 19 (CH) | 70.7 |
| 20 (CH2) | 43.3 |
| 21 (CH) | 58.1 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 21.9 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 16.7 |
| 28 (CH2) | 62.8 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 23.5 |
| 1' (CH) | 106.8 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77 |
| 6' (CH2) | 70.4 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.9 |
