Spektraris NMR
Kuguaglycoside G
Common Name: Kuguaglycoside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O13/c1-20(2)15-22(52-37-34(50)32(48)30(46)27(18-43)54-37)16-21(3)23-11-12-42(8)36-26(53-38-35(51)33(49)31(47)28(19-44)55-38)17-25-24(9-10-29(45)39(25,4)5)40(36,6)13-14-41(23,42)7/h15,17,21-24,26-38,43-51H,9-14,16,18-19H2,1-8H3/t21-,22?,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38-,40+,41-,42+/m1/s1
InChIKey: InChIKey=BKQQMZXYSOYWBZ-HEMIGNBOSA-N
Formula: C42H70O13
Molecular Weight: 782.999025
Exact Mass: 782.481642
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) | 21.8 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 76.1 |
| 4 (C) | 42 |
| 5 (C) | 148.4 |
| 6 (CH) | 121.1 |
| 7 (CH) | 72.6 |
| 8 (CH) | 48.5 |
| 9 (C) | 34.5 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 28.2 |
| 12 (CH2) | 33.1 |
| 13 (C) | 46.5 |
| 14 (C) | 48.3 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 30.7 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 29.4 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 44.1 |
| 23 (CH) | 75.2 |
| 24 (CH) | 129.3 |
| 25 (C) | 132.1 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 101.3 |
| 2' (CH) | 75.2 |
| 3' (CH) | 79 |
| 4' (CH) | 72 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 79 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 63 |
