Spektraris NMR
4,5-Dioxoartacinatine
Common Name: 4,5-Dioxoartacinatine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H17NO6/c1-20-10-6-8-4-5-11(21)17(23)13(8)15-14(10)9(16(22)19(20)24)7-12(25-2)18(15)26-3/h6-7,11,21H,4-5H2,1-3H3/t11-/m0/s1
InChIKey: InChIKey=ZCWFPJHDJGGSQP-NSHDSACASA-N
Formula: C19H17N1O6
Molecular Weight: 355.342148
Exact Mass: 355.105587
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lan, Y.H., Wang, H.Y., Wu, C.C., Chen, S.L., Chang, C.L., Chang, F.R., Wu, Y.C. Chem Pharm Bull (2007) 55, 1597-9
Species:
Notes: Family : Alkaloids, Type : Aporphines; 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) | 150 |
| 2 (C) | 152.4 |
| 3 (CH) | 115.9 |
| 3a (C) | 125 |
| 4 (C) | 175 |
| 5 (C) | 156.9 |
| 6a (C) | 137 |
| 7 (CH) | 112.1 |
| 7a (C) | 149 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 35.3 |
| 10 (CH) | 72.8 |
| 11 (C) | 200.1 |
| 11a (C) | 146 |
| 11b (C) | 115 |
| 11c (C) | 118 |
| 1' (CH3) | 30.5 |
| 1a (CH3) | 61.8 |
| 2a (CH3) | 52.6 |
