Spektraris NMR
5,6,8,9-Tetrahydro-1-hydro-4H-cyclopenta[a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3H)-one
![5,6,8,9-Tetrahydro-1-hydro-4H-cyclopenta[a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3H)-one](/nmr/static/nmr/svg/11738.svg)
Common Name: 5,6,8,9-Tetrahydro-1-hydro-4H-cyclopenta[a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H17NO4/c19-12-8-17-3-1-4-18(17)5-2-10-6-13-14(22-9-21-13)7-11(10)15(17)16(12)20/h6-7,20H,1-5,8-9H2
InChIKey: InChIKey=FDWVASNYLQYPMN-UHFFFAOYSA-N
Formula: C17H17N1O4
Molecular Weight: 299.321866
Exact Mass: 299.115758
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.W., Su, H.J., Yang, S.Z., Won, S.J., Lin, C.N. J Nat Prod (2004) 67, 1182-5
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 (CH2) | 47.4 |
| 2 (C) | 198.8 |
| 3 (C) | 154.3 |
| 4 (C) | 137.2 |
| 5 (C) | 73.2 |
| 6 (CH2) | 36.1 |
| 7 (CH2) | 22.2 |
| 8 (CH2) | 49.3 |
| 10 (CH2) | 51.9 |
| 11 (CH2) | 31.3 |
| 12 (C) | 132.2 |
| 13 (C) | 125.4 |
| 14 (CH) | 110.9 |
| 15 (C) | 148.5 |
| 16 (C) | 146.8 |
| 17 (CH) | 110 |
| 15a (CH2) | 102.1 |
