Spektraris NMR
Momordicoside N
Common Name: Momordicoside N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O14/c1-20(2)16-23(53-36-34(50)32(48)30(46)24(17-43)54-36)29(45)21(3)22-10-12-40(7)26-11-13-42-27(41(26,19-52-42)15-14-39(22,40)6)8-9-28(38(42,4)5)56-37-35(51)33(49)31(47)25(18-44)55-37/h11,13,16,21-37,43-51H,8-10,12,14-15,17-19H2,1-7H3/t21-,22+,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,39+,40-,41-,42+/m0/s1
InChIKey: InChIKey=UVPDCWZQGLOBOB-QUSDTEJPSA-N
Formula: C42H68O14
Molecular Weight: 796.982548
Exact Mass: 796.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, Q.Y., Chen, H.B., Liu, Z.M., Wang, B., Zhao, Y.Y. Magn Reson Chem (2007) 45, 451-6
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) | 18.9 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 85 |
| 4 (C) | 39 |
| 5 (C) | 85.9 |
| 6 (CH) | 134.2 |
| 7 (CH) | 130 |
| 8 (CH) | 52.3 |
| 9 (C) | 45.3 |
| 10 (CH) | 40.1 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 31.2 |
| 13 (C) | 45.7 |
| 14 (C) | 48.6 |
| 15 (CH2) | 33.7 |
| 16 (CH2) | 28 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 14.5 |
| 19 (CH2) | 80.1 |
| 20 (CH) | 40.7 |
| 21 (CH3) | 14.7 |
| 22 (CH) | 76.6 |
| 23 (CH) | 81.2 |
| 24 (CH) | 124.7 |
| 25 (C) | 135.3 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 103.7 |
| 2' (CH) | 73.1 |
| 3' (CH) | 72.4 |
| 4' (CH) | 69.3 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 63 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 73 |
| 3'' (CH) | 73.1 |
| 4'' (CH) | 69 |
| 5'' (CH) | 76 |
| 6'' (CH2) | 63.3 |
