Spektraris NMR
Kuguaglycoside E
Common Name: Kuguaglycoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-20(2)14-22(53-37-34(51)32(49)30(47)27(17-43)55-37)15-21(3)23-10-11-41(7)36-26(54-38-35(52)33(50)31(48)28(18-44)56-38)16-25-24(8-9-29(46)39(25,4)5)42(36,19-45)13-12-40(23,41)6/h14,16,21-24,26-38,43-52H,8-13,15,17-19H2,1-7H3/t21-,22?,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,40-,41+,42-/m1/s1
InChIKey: InChIKey=LSBBAHYFHCJMIN-DJDUJDLESA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
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) | 72.9 |
| 8 (CH) | 39.1 |
| 9 (C) | 39.2 |
| 10 (CH) | 39 |
| 11 (CH2) | 27 |
| 12 (CH2) | 28.3 |
| 13 (C) | 46.3 |
| 14 (C) | 47.8 |
| 15 (CH2) | 35.4 |
| 16 (CH2) | 30.5 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 15.1 |
| 19 (CH2) | 65.6 |
| 20 (CH) | 32.9 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 44.1 |
| 23 (CH) | 75.7 |
| 24 (CH) | 129.2 |
| 25 (C) | 132.1 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 101.3 |
| 2' (CH) | 74.9 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 79 |
| 6'' (CH2) | 63 |
