Spektraris NMR
Cycloexoside B
Common Name: Cycloexoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30-,33+,34-,35+,36-,37+/m0/s1
InChIKey: InChIKey=KILZIJKCZIGLFJ-HQIOABIXSA-N
Formula: C37H60O10
Molecular Weight: 664.867723
Exact Mass: 664.418648
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) | 32.25 |
| 2 (CH2) | 30.08 |
| 3 (CH) | 89.01 |
| 4 (C) | 42.24 |
| 5 (CH) | 53.8 |
| 6 (CH) | 68.09 |
| 7 (CH2) | 38.66 |
| 8 (CH) | 47.14 |
| 9 (C) | 20.95 |
| 10 (C) | 29.43 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 33.3 |
| 13 (C) | 44.96 |
| 14 (C) | 46.05 |
| 15 (CH2) | 46.61 |
| 16 (CH) | 73.4 |
| 17 (CH) | 58.32 |
| 18 (CH3) | 21.54 |
| 19 (CH2) | 30.7 |
| 20 (C) | 87.18 |
| 21 (CH3) | 28.63 |
| 22 (CH2) | 34.86 |
| 23 (CH2) | 26.35 |
| 24 (CH) | 81.67 |
| 25 (C) | 71.22 |
| 26 (CH3) | 27.03 |
| 27 (CH3) | 28.08 |
| 28 (CH3) | 28.47 |
| 29 (CH3) | 20.12 |
| 30 (CH3) | 16.39 |
| 1' (CH) | 104.79 |
| 2' (CH) | 76.15 |
| 3' (CH) | 75.63 |
| 4' (CH) | 71.27 |
| 5' (CH2) | 67.02 |
| 2'a (C) | 170.09 |
| 2'b (CH3) | 21.21 |
