Spektraris NMR
1-Epidechloroacutumine
Common Name: 1-Epidechloroacutumine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H25NO6/c1-20-8-7-17-10-11(21)14(25-3)16(26-4)19(17,20)6-5-18(17)13(22)9-12(24-2)15(18)23/h9,15,23H,5-8,10H2,1-4H3/t15-,17-,18+,19+/m0/s1
InChIKey: InChIKey=BUBCJFLNVLBOBA-GDAAHCPNSA-N
Formula: C19H25N1O6
Molecular Weight: 363.405674
Exact Mass: 363.168188
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yu B.W., Chen J.Y., Wang Y.P., Cheng K.F., Li X.Y., Qin G.W. Phytochemistry (2002) 61, 439-42
Species:
Notes: Family : Alkaloids, Type : Miscellanea; 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) | 77.6 |
| 2 (C) | 188.3 |
| 3 (CH) | 102.5 |
| 4 (C) | 199.4 |
| 5 (CH2) | 47.1 |
| 6 (C) | 193.9 |
| 7 (C) | 138.9 |
| 8 (C) | 158.9 |
| 9 (CH2) | 31.4 |
| 10 (CH2) | 34.4 |
| 11 (C) | 67.4 |
| 12 (C) | 56.4 |
| 13 (C) | 53.8 |
| 14 (CH2) | 31.8 |
| 15 (CH2) | 53.8 |
| 1' (CH3) | 35.5 |
| 2a (CH3) | 60.6 |
| 7a (CH3) | 59.1 |
| 8a (CH3) | 60.8 |
