Spektraris NMR
Medicagenic acid
Common Name: Medicagenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=IDGXIXSKISLYAC-WNTKNEGGSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiangyu P., Dagang W., Tsungren Y., Jun Z. Acta Bot Yunnan (1984) 6, 321
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) | 44.9 |
| 2 (CH) | 71.4 |
| 3 (CH) | 75.7 |
| 4 (C) | 53.7 |
| 5 (CH) | 52 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.4 |
| 13 (C) | 144.7 |
| 14 (C) | 41.9 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 23.7 |
| 17 (C) | 46.5 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 46.5 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.2 |
| 23 (C) | 180 |
| 24 (CH3) | 13.5 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 26.1 |
| 28 (C) | 180.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
