Spektraris NMR
2-O-b-D-glucopyranosylcucurbitacin K
Common Name: 2-O-b-D-glucopyranosylcucurbitacin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20-,21+,22-,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey: InChIKey=XPEAYHKXEWXAKV-WOVCZDRSSA-N
Formula: C36H54O13
Molecular Weight: 694.807557
Exact Mass: 694.356442
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Seger, C., Sturm, S., Mair, M.E., Ellmerer, E.P., Stuppner, H. Magn Reson Chem (2005) 43, 489-91
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 (CH) | 123.4 |
| 2 (C) | 146.9 |
| 3 (C) | 199.4 |
| 4 (C) | 49.9 |
| 5 (C) | 137.1 |
| 6 (CH) | 122 |
| 7 (CH2) | 24.3 |
| 8 (CH) | 42.9 |
| 9 (C) | 50.2 |
| 10 (CH) | 36 |
| 11 (C) | 216 |
| 12 (CH2) | 50 |
| 13 (C) | 51.3 |
| 14 (C) | 49.1 |
| 15 (CH2) | 46.4 |
| 16 (CH) | 71.1 |
| 17 (CH) | 58.7 |
| 18 (CH3) | 20.3 |
| 19 (CH3) | 20.3 |
| 20 (C) | 80.4 |
| 21 (CH3) | 24.8 |
| 22 (C) | 215.4 |
| 23 (CH2) | 40.3 |
| 24 (CH) | 74.7 |
| 25 (C) | 73.2 |
| 26 (CH3) | 24.5 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 20.4 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 100.9 |
| 2' (CH) | 74 |
| 3' (CH) | 77.2 |
| 4' (CH) | 70.4 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 61.7 |
