Spektraris NMR
Dechloroacutumidine
Common Name: Dechloroacutumidine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H23NO6/c1-23-11-8-12(21)17(14(11)22)4-5-18-15(25-3)13(24-2)10(20)9-16(17,18)6-7-19-18/h8,14,19,22H,4-7,9H2,1-3H3/t14-,16+,17-,18-/m1/s1
InChIKey: InChIKey=MFKKBSSDRFHMPA-BZZMCLGOSA-N
Formula: C18H23N1O6
Molecular Weight: 349.379056
Exact Mass: 349.152537
NMR Solvent: CDCl3
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) | 72.2 |
| 2 (C) | 188.2 |
| 3 (CH) | 103.5 |
| 4 (C) | 204.4 |
| 5 (CH2) | 45.4 |
| 6 (C) | 192.2 |
| 7 (C) | 136.6 |
| 8 (C) | 163.3 |
| 9 (CH2) | 38.6 |
| 10 (CH2) | 40.4 |
| 11 (C) | 66.6 |
| 12 (C) | 53.4 |
| 13 (C) | 73.8 |
| 14 (CH2) | 28.5 |
| 15 (CH2) | 44.6 |
| 2a (CH3) | 58.7 |
| 7a (CH3) | 60.3 |
| 8a (CH3) | 60.9 |
