Spektraris NMR
4,5-Epoxy-6-hydroxy amorphan-12-oic acid methyl ester
Common Name: 4,5-Epoxy-6-hydroxy amorphan-12-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O4/c1-9-5-6-12(10(2)13(17)19-4)16(18)11(9)7-8-15(3)14(16)20-15/h9-12,14,18H,5-8H2,1-4H3/t9-,10-,11+,12+,14-,15-,16-/m1/s1
InChIKey: InChIKey=WQBNHSIBVNIOQE-GYDAVGPASA-N
Formula: C16H26O4
Molecular Weight: 282.375854
Exact Mass: 282.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brown, G.D., Liang, G.Y., Sy, L.K. Phytochemistry (2003) 64, 303-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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 (CH) | 48.6 |
| 2 (CH2) | 15.2 |
| 3 (CH2) | 24.5 |
| 4 (C) | 60.8 |
| 5 (CH) | 61 |
| 6 (C) | 70.5 |
| 7 (CH) | 50.5 |
| 8 (CH2) | 26 |
| 9 (CH2) | 34.6 |
| 10 (CH) | 30.7 |
| 11 (CH) | 39.3 |
| 12 (C) | 176.9 |
| 13 (CH3) | 19 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 19 |
| 12a (CH3) | 51.3 |
