Spektraris NMR
Melilotigenin C
Common Name: Melilotigenin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/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/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21+,22+,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=ZSSKGAAIGRYCEP-SDDNWOMQSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Simonet, A.M., Galindo, J.C.G., Pacheco, P.C., Sanchez, J.A. Phytochemistry (1998) 49, 709-17
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) | 38.8 |
| 2 (CH2) | 34.4 |
| 3 (C) | 220.5 |
| 4 (C) | 51.1 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.5 |
| 9 (CH) | 46.5 |
| 10 (C) | 36.4 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.2 |
| 13 (C) | 143.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 25.8 |
| 16 (CH2) | 28.2 |
| 17 (C) | 37.8 |
| 18 (CH) | 45 |
| 19 (CH2) | 46.5 |
| 20 (C) | 30.5 |
| 21 (CH2) | 41.5 |
| 22 (CH) | 77.2 |
| 23 (CH3) | 22.1 |
| 24 (CH2) | 65.8 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 25.2 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 32.5 |
| 30 (CH3) | 20 |
