Spektraris NMR
Cycloexoside
Common Name: Cycloexoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H62O11/c1-20(40)47-28-24(44)18-46-32(29(28)48-21(2)41)49-26-11-13-39-19-38(39)15-14-35(7)31(37(9)12-10-27(50-37)34(5,6)45)23(43)17-36(35,8)25(38)16-22(42)30(39)33(26,3)4/h22-32,42-45H,10-19H2,1-9H3/t22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,36-,37+,38-,39+/m0/s1
InChIKey: InChIKey=HAUCZONIQZLEEW-OVCRFGMZSA-N
Formula: C39H62O11
Molecular Weight: 706.904481
Exact Mass: 706.429213
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.24 |
| 2 (CH2) | 29.98 |
| 3 (CH) | 89.3 |
| 4 (C) | 42.21 |
| 5 (CH) | 53.81 |
| 6 (CH) | 68.05 |
| 7 (CH2) | 38.71 |
| 8 (CH) | 47.17 |
| 9 (C) | 20.81 |
| 10 (C) | 29.44 |
| 11 (CH2) | 26.18 |
| 12 (CH2) | 33.36 |
| 13 (C) | 45.02 |
| 14 (C) | 46.11 |
| 15 (CH2) | 46.71 |
| 16 (CH) | 73.41 |
| 17 (CH) | 58.37 |
| 18 (CH3) | 21.58 |
| 19 (CH2) | 30.76 |
| 20 (C) | 87.2 |
| 21 (CH3) | 28.63 |
| 22 (CH2) | 34.91 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 81.71 |
| 25 (C) | 71.23 |
| 26 (CH3) | 27.11 |
| 27 (CH3) | 28.14 |
| 28 (CH3) | 28.52 |
| 29 (CH3) | 20.19 |
| 30 (CH3) | 16.39 |
| 1' (CH) | 104.1 |
| 2' (CH) | 73.15 |
| 3' (CH) | 76.61 |
| 4' (CH) | 68.81 |
| 5' (CH2) | 66.67 |
| 2'a (C) | 169.82 |
| 2'b (CH3) | 20.74 |
| 3'a (C) | 170.47 |
| 3'b (CH3) | 21.04 |
