Spektraris NMR
soyasapogenol A
Common Name: soyasapogenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=CDDWAYFUFNQLRZ-KJVHGCRFSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
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) | 38.9 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.1 |
| 10 (C) | 37 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.5 |
| 14 (C) | 42.1 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 27.5 |
| 17 (C) | 39.2 |
| 18 (CH) | 44 |
| 19 (CH2) | 47.3 |
| 20 (C) | 36.6 |
| 21 (CH) | 74.6 |
| 22 (CH) | 79.6 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 64.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 31.5 |
| 30 (CH3) | 21.3 |
