Spektraris NMR
samaderine A
Common Name: samaderine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17-,18-/m1/s1
InChIKey: InChIKey=BHRGGWSNTHQGED-REMDBXRQSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coombes, P.H., Naidoo, D., Mulholland, D.A., Randrianarivelojosia, M. Phytochemistry (2005) 66, 2734-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 203.5 |
| 2 (CH) | 134.1 |
| 4 (C) | 163.3 |
| 5 (C) | 168.8 |
| 6 (CH) | 116.8 |
| 7 (C) | 193.8 |
| 8 (C) | 57.4 |
| 9 (CH) | 40.2 |
| 10 (C) | 48.2 |
| 11 (CH) | 69 |
| 12 (CH) | 81.8 |
| 13 (C) | 89.2 |
| 14 (CH) | 58.1 |
| 15 (C) | 171.1 |
| 17 (CH3) | 20.9 |
| 19 (CH3) | 21.4 |
| 28 (CH3) | 13.7 |
| 30 (CH2) | 76.1 |
