Spektraris NMR
Jinfushanosides B
Common Name: Jinfushanosides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O9/c1-20(8-7-9-21(17-37)18-38)22-14-15-34(4)26-12-10-23-24(36(26,6)27(40)16-35(22,34)5)11-13-28(33(23,2)3)45-32-31(43)30(42)29(41)25(19-39)44-32/h9-10,20,22,24-26,28-32,37-39,41-43H,7-8,11-19H2,1-6H3/t20-,22-,24-,25-,26+,28+,29-,30+,31-,32+,34+,35-,36+/m1/s1
InChIKey: InChIKey=YBPFPMZERYZNLI-DSTQMXSWSA-N
Formula: C36H58O9
Molecular Weight: 634.8417
Exact Mass: 634.408083
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 |
| 2 (CH2) | 28 |
| 3 (CH) | 86.9 |
| 4 (C) | 42 |
| 5 (C) | 141.2 |
| 6 (CH) | 118.3 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 43.9 |
| 9 (C) | 49 |
| 10 (CH) | 35.8 |
| 11 (C) | 214.1 |
| 12 (CH2) | 48.8 |
| 13 (C) | 48.8 |
| 14 (C) | 49.5 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 17 |
| 19 (CH3) | 20.3 |
| 20 (CH) | 35.6 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 36.7 |
| 23 (CH2) | 24.3 |
| 24 (CH) | 127.1 |
| 25 (C) | 140.3 |
| 26 (CH2) | 64.6 |
| 27 (CH2) | 57.9 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.6 |
| 1' (CH) | 106.6 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.3 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.5 |
