Spektraris NMR
Melilotigenin D
Common Name: Melilotigenin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-21,31H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=IFACNWHWWMMIQU-WBTOZZLUSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: C5D5N
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) | 40.3 |
| 2 (CH2) | 35.6 |
| 3 (C) | 214.7 |
| 4 (C) | 55 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 20 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40 |
| 9 (CH) | 47.4 |
| 10 (C) | 40.3 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 124.7 |
| 13 (C) | 141.6 |
| 14 (C) | 42.1 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 27.3 |
| 17 (C) | 48.3 |
| 18 (CH) | 47.1 |
| 19 (CH2) | 41.7 |
| 20 (C) | 44.6 |
| 21 (CH2) | 46.5 |
| 22 (C) | 214.4 |
| 23 (CH3) | 21 |
| 24 (CH2) | 65.3 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 21.7 |
| 29 (C) | 178.9 |
| 30 (CH3) | 21 |
