Spektraris NMR
pseudodeflectusin
Common Name: pseudodeflectusin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8,15,17H,6H2,1-3H3/t8-,15?/m1/s1
InChIKey: InChIKey=LSQCSEQTJDZMSO-ARAKYBCZSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ogawa, A., Murakam, C., Kamisuki, S., Kuriyama, I., Yoshida, H., Sugawaraa, F., Mizushina, Y. Bioorg Med Chem Lett (2004) 14, 3539-43
Species:
Notes: Family : Isochromans, Type : Isochromanones; 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 (CH) | 87.8 |
| 3 (CH) | 62.9 |
| 4 (CH2) | 36 |
| 5 (CH) | 122.7 |
| 6 (CH) | 123.8 |
| 7 (C) | 122 |
| 8 (C) | 162 |
| 9 (C) | 119.5 |
| 10 (C) | 143.8 |
| 3a (CH3) | 21.1 |
| 7a (C) | 183.2 |
| 7b (C) | 145.2 |
| 7ba (C) | 132.3 |
| 7bb (CH3) | 17.4 |
| 7bc (CH3) | 20.3 |
