Spektraris NMR
Jinfushanosides C
Common Name: Jinfushanosides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O14/c1-21(8-7-9-22(17-43)20-53-37-35(51)33(49)31(47)26(18-44)54-37)23-14-15-40(4)28-12-10-24-25(42(28,6)29(46)16-41(23,40)5)11-13-30(39(24,2)3)56-38-36(52)34(50)32(48)27(19-45)55-38/h9-10,21,23,25-28,30-38,43-45,47-52H,7-8,11-20H2,1-6H3/b22-9+/t21-,23-,25-,26-,27-,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,40+,41-,42+/m1/s1
InChIKey: InChIKey=MRMWADAGNSNVKO-SSUYMDGISA-N
Formula: C42H68O14
Molecular Weight: 796.982548
Exact Mass: 796.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J.C., Niu, X.M., Li, Z.R., Qiu, M.H. Planta Med (2005) 71, 983-6
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) | 22.1 |
| 2 (CH2) | 28 |
| 3 (CH) | 87.3 |
| 4 (C) | 42 |
| 5 (C) | 141.2 |
| 6 (CH) | 118.5 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 43.9 |
| 9 (C) | 49.5 |
| 10 (CH) | 35.9 |
| 11 (C) | 213.8 |
| 12 (CH2) | 48.7 |
| 13 (C) | 48.9 |
| 14 (C) | 49 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 20.3 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.5 |
| 23 (CH2) | 24.6 |
| 24 (CH) | 131.6 |
| 25 (C) | 137.1 |
| 26 (CH2) | 72.8 |
| 27 (CH2) | 58.2 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.4 |
| 1' (CH) | 107.4 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63 |
| 1'' (CH) | 103.4 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.8 |
