Spektraris NMR
Soyasapogenol E
Common Name: Soyasapogenol E
Synonyms: Soyasapogenol E
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=FNRBOAGVUNHDIL-LMZUXBMISA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Simonet, A.M., Galindo, J.C.G., Pacheco, P.C., Sanchez, J.A. Phytochemistry (1998) 49, 709-17
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) | 38.4 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 80.9 |
| 4 (C) | 42.8 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123.6 |
| 13 (C) | 141.6 |
| 14 (C) | 41.8 |
| 15 (CH2) | 25.3 |
| 16 (CH2) | 27.2 |
| 17 (C) | 47.6 |
| 18 (CH) | 47.6 |
| 19 (CH2) | 46.7 |
| 20 (C) | 34.1 |
| 21 (CH2) | 50.9 |
| 22 (C) | 216.2 |
| 23 (CH3) | 22.4 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 32 |
| 30 (CH3) | 20.5 |
