Spektraris NMR
soyasapogenol B
Common Name: soyasapogenol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/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/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=YOQAQNKGFOLRGT-UXXABWCISA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mahato S. B. Phytochemistry (1991) 30, 3389
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) | 39.2 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 80.4 |
| 4 (C) | 43.4 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.7 |
| 14 (C) | 42.5 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 28.8 |
| 17 (C) | 38 |
| 18 (CH) | 45.6 |
| 19 (CH2) | 47 |
| 20 (C) | 30.8 |
| 21 (CH2) | 42.7 |
| 22 (CH) | 75.8 |
| 23 (CH3) | 23.6 |
| 24 (CH2) | 64.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 21 |
