Spektraris NMR
Isotrifoliol
Common Name: Isotrifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H10O6/c1-20-11-5-8(18)6-12-14(11)15-13(16(19)22-12)9-3-2-7(17)4-10(9)21-15/h2-6,17-18H,1H3
InChIKey: InChIKey=OVLUQDOJWGTPHA-UHFFFAOYSA-N
Formula: C16H10O6
Molecular Weight: 298.247611
Exact Mass: 298.047738
NMR Solvent: D+C
MHz:
Calibration:
NMR references: 13C - Hatano, T., Aga, Y., Shintani, Y., Ito, H., Okuda, T., Yoshida, T. Phytochemistry (2000) 55, 959-63
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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) | 155.1 |
| 2 (CH) | 95.6 |
| 3 (C) | 161.4 |
| 4 (CH) | 95.7 |
| 4a (C) | 153.5 |
| 6 (C) | 157.5 |
| 6a (C) | 101.2 |
| 6b (C) | 114.2 |
| 7 (CH) | 120 |
| 8 (CH) | 113.4 |
| 9 (C) | 156.4 |
| 10 (CH) | 98.2 |
| 10a (C) | 155.7 |
| 11a (C) | 159.1 |
| 11b (C) | 108.7 |
| 1a (CH3) | 55.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.