Spektraris NMR
Kuguaglycoside C
Common Name: Kuguaglycoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O8/c1-20(2)9-8-10-21(3)22-13-14-35(7)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(11-12-27(39)33(24,4)5)36(31,19-38)16-15-34(22,35)6/h8-9,17,19,21-23,25-32,37,39-42H,1,10-16,18H2,2-7H3/b9-8+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
InChIKey: InChIKey=OMBHCPPEZFBPJG-ZBAJYRRDSA-N
Formula: C36H56O8
Molecular Weight: 616.826414
Exact Mass: 616.397519
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) | 21.9 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 75.7 |
| 4 (C) | 42 |
| 5 (C) | 149.9 |
| 6 (CH) | 122.4 |
| 7 (CH) | 72 |
| 8 (CH) | 45.4 |
| 9 (C) | 50.5 |
| 10 (CH) | 36.8 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 29.4 |
| 13 (C) | 45.9 |
| 14 (C) | 48.2 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 15.1 |
| 19 (CH) | 207.6 |
| 20 (CH) | 36.9 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 40.1 |
| 23 (CH) | 129.8 |
| 24 (CH) | 134.8 |
| 25 (C) | 142.6 |
| 26 (CH2) | 114.7 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 26.3 |
| 30 (CH3) | 18.3 |
| 1' (CH) | 102 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 63.1 |
