Spektraris NMR
Auraptenol
Common Name: Auraptenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
InChIKey: InChIKey=SQSRYWNOKPJENY-UHFFFAOYSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, P., Takaishi, Y., Duan, H., Chen, B., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K., Lee, K.H. Phytochemistry (2000) 53, 689-97
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 (C) | 161.3 |
| 3 (CH) | 113 |
| 4 (CH) | 144.3 |
| 5 (CH) | 127.3 |
| 6 (CH) | 107.8 |
| 7 (C) | 161 |
| 8 (C) | 115.8 |
| 9 (C) | 154.1 |
| 10 (C) | 113.2 |
| 7a (CH3) | 56.1 |
| 8a (CH2) | 30.3 |
| 8b (CH) | 74.9 |
| 8c (C) | 149.2 |
| 8d (CH2) | 110.2 |
| 8e (CH3) | 17.8 |
