Spektraris NMR
Soyasapogenol C
Common Name: Soyasapogenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VNGUCOGHCJHFID-FLZFTVBESA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kinjo J., Miyamoto I., Miurakami K., Kida K. T. T., Yamasaki M., Nohara T. Chem Pharm Bull (1985) 33, 1293
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.5 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.4 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 123.1 |
| 13 (C) | 144.9 |
| 14 (C) | 44.3 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 30.2 |
| 17 (C) | 35.6 |
| 18 (CH) | 46.7 |
| 19 (CH2) | 46.7 |
| 20 (C) | 33.9 |
| 21 (CH) | 134.3 |
| 22 (CH) | 136.5 |
| 23 (CH3) | 25.1 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 20.6 |
| 29 (CH3) | 31.5 |
| 30 (CH3) | 22.2 |
