Spektraris NMR
Kuguaglycoside A
Common Name: Kuguaglycoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O8/c1-20(2)16-22(44-33-31(42)30(41)29(40)27(19-38)45-33)17-21(3)23-12-13-37(8)32-26(43-9)18-25-24(10-11-28(39)34(25,4)5)35(32,6)14-15-36(23,37)7/h16,18,21-24,26-33,38-42H,10-15,17,19H2,1-9H3/t21-,22?,23-,24-,26+,27-,28+,29-,30+,31-,32-,33-,35+,36-,37+/m1/s1
InChIKey: InChIKey=XKIOBGLXHAQKNC-QQTXJLPISA-N
Formula: C37H62O8
Molecular Weight: 634.884794
Exact Mass: 634.444469
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) | 30.3 |
| 3 (CH) | 76.2 |
| 4 (C) | 42.1 |
| 5 (C) | 148.2 |
| 6 (CH) | 119.7 |
| 7 (CH) | 77.7 |
| 8 (CH) | 48.4 |
| 9 (C) | 35.1 |
| 10 (CH) | 39.4 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 33.1 |
| 13 (C) | 46.5 |
| 14 (C) | 48.4 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 30.7 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 29.3 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 44 |
| 23 (CH) | 75.7 |
| 24 (CH) | 129.2 |
| 25 (C) | 132.3 |
| 26 (CH3) | 26 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.2 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.5 |
| 3' (CH) | 79 |
| 4' (CH) | 72 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
| 7a (CH3) | 56.3 |
