Spektraris NMR
Azukisapogenol
Common Name: Azukisapogenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,25+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VVWRIMSHBALFKN-MMZUORMZSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dezu W., Xiangy P., Jian F., Tsungun Y. Acta Bot Yunnan (1983) 5, 437
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) | 33.3 |
| 8 (C) | 40.1 |
| 9 (CH) | 48 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 122.9 |
| 13 (C) | 144.6 |
| 14 (C) | 41.9 |
| 15 (CH2) | 26 |
| 16 (CH2) | 27.2 |
| 17 (C) | 32.8 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 46.6 |
| 20 (C) | 42.8 |
| 21 (CH2) | 36.5 |
| 22 (CH2) | 30 |
| 23 (CH3) | 24.1 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 26.4 |
| 28 (CH3) | 28.4 |
| 29 (C) | 179 |
| 30 (CH3) | 20 |
