Spektraris NMR
Kuguaglycoside D
Common Name: Kuguaglycoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O9/c1-19(2)14-21(39)15-20(3)22-10-11-35(7)31-25(44-32-30(43)29(42)28(41)26(17-37)45-32)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,20-23,25-32,37-43H,8-13,15,17-18H2,1-7H3/t20-,21?,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
InChIKey: InChIKey=WCKZLYQEEPCCGL-RMDIKJGVSA-N
Formula: C36H60O9
Molecular Weight: 636.857582
Exact Mass: 636.423734
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) | 20.5 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 76.1 |
| 4 (C) | 42.1 |
| 5 (C) | 148.9 |
| 6 (CH) | 121 |
| 7 (CH) | 72.8 |
| 8 (CH) | 39.1 |
| 9 (C) | 39.1 |
| 10 (CH) | 39 |
| 11 (CH2) | 27 |
| 12 (CH2) | 28.4 |
| 13 (C) | 46.3 |
| 14 (C) | 47.8 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 30.5 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 15 |
| 19 (CH2) | 65.3 |
| 20 (CH) | 33.1 |
| 21 (CH3) | 19.3 |
| 22 (CH2) | 45.6 |
| 23 (CH) | 65.6 |
| 24 (CH) | 130.8 |
| 25 (C) | 132 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 101.3 |
| 2' (CH) | 74.9 |
| 3' (CH) | 79.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 79 |
| 6' (CH2) | 63 |
