Spektraris NMR
Ilexgenin-B methyl ester
Common Name: Ilexgenin-B methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3/t19-,21-,22+,23-,24+,27-,28+,29+,30+,31-/m0/s1
InChIKey: InChIKey=KVKFKYPXEAKDHI-MFJDBYJCSA-N
Formula: C31H50O4
Molecular Weight: 486.72747
Exact Mass: 486.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hidaka K., Ito M., Matsuda Y., Kohda H., Yamasaki K., Yamahara J., Chisaka T., Kawakami Y., Sato T., Kagei K. Chem Pharm Bull (1987) 35, 524
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 27.1 |
| 3 (CH) | 79 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.3 |
| 10 (C) | 37 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 128.5 |
| 13 (C) | 137.7 |
| 14 (C) | 41.1 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 26.1 |
| 17 (C) | 47.4 |
| 18 (CH) | 46.6 |
| 19 (C) | 74 |
| 20 (CH) | 41.3 |
| 21 (CH2) | 23.6 |
| 22 (CH2) | 31.2 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.2 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 24.5 |
| 28 (C) | 178.4 |
| 29 (CH3) | 30.1 |
| 30 (CH3) | 15.8 |
| 28a (CH3) | 51.6 |
