Spektraris NMR
DIBOA-Glc
Common Name: DIBOA-Glc
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKey: InChIKey=OUSLYTBGQGKTME-TWTZXXGESA-N
Formula: C14H17N1O9
Molecular Weight: 343.286683
Exact Mass: 343.090331
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kamel, M.S., Kasai, R., Picheansoonthon, C., Hiraga, Y., Yamasaki, K. Phytochemistry (2001) 58, 637-40
Species:
Notes: Family : Alkaloids, Type : Benzooxazines; 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 |
|---|---|
| 2 (CH) | 96.2 |
| 3 (C) | 155.4 |
| 5 (CH) | 112.8 |
| 6 (CH) | 123.9 |
| 7 (CH) | 122.9 |
| 8 (CH) | 117.5 |
| 9 (C) | 140.3 |
| 10 (C) | 128.3 |
| 1' (CH) | 102.5 |
| 2' (CH) | 73.2 |
| 3' (CH) | 77.3 |
| 4' (CH) | 69.6 |
| 5' (CH) | 76.6 |
| 6' (CH2) | 60.9 |
