Spektraris NMR
Kuguaglycoside F
Common Name: Kuguaglycoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O13/c1-21(2)16-23(53-38-35(50)33(48)31(46)28(19-44)54-38)17-22(3)24-12-13-43(8)37-27(52-9)18-26-25(41(37,6)14-15-42(24,43)7)10-11-30(40(26,4)5)56-39-36(51)34(49)32(47)29(20-45)55-39/h16,18,22-25,27-39,44-51H,10-15,17,19-20H2,1-9H3/t22-,23?,24-,25-,27+,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,41+,42-,43+/m1/s1
InChIKey: InChIKey=WODOXUDUVPKANZ-QSSDHRFESA-N
Formula: C43H72O13
Molecular Weight: 797.025642
Exact Mass: 796.497292
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J.C., Lu, L., Zhang, X.M., Zhou, L., Li, Z.R., Qiu, M.H. Helv Chim Acta (2008) 91, 920-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 22.7 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 87.9 |
| 4 (C) | 42.1 |
| 5 (C) | 148 |
| 6 (CH) | 119.1 |
| 7 (CH) | 77.7 |
| 8 (CH) | 48.7 |
| 9 (C) | 34.3 |
| 10 (CH) | 39.4 |
| 11 (CH2) | 28 |
| 12 (CH2) | 32.8 |
| 13 (C) | 46.4 |
| 14 (C) | 48.3 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 30.6 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 29.2 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 43.9 |
| 23 (CH) | 75.8 |
| 24 (CH) | 129.1 |
| 25 (C) | 132.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 29 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 105.1 |
| 2' (CH) | 72.1 |
| 3' (CH) | 73.4 |
| 4' (CH) | 69.3 |
| 5' (CH) | 75.7 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 104.3 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 79 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 63 |
| 7a (CH3) | 56.2 |
