Spektraris NMR
Tupichinol D
Common Name: Tupichinol D
Synonyms: Tupichinol D
CAS Registry Number:
InChI: InChI=1S/C16H16O4/c1-9-13(18)7-4-11-8-14(19)16(20-15(9)11)10-2-5-12(17)6-3-10/h2-7,14,16-19H,8H2,1H3/t14-,16-/m1/s1
InChIKey: InChIKey=DJBYVXLAIRAFTK-GDBMZVCRSA-N
Formula: C16H16O4
Molecular Weight: 272.296446
Exact Mass: 272.104859
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Wei, L.M., Wei, L.L., Wu, Y.C. Chem Pharm Bull (2006) 54, 954-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanes; 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) | 80.2 |
| 3 (CH) | 67.7 |
| 4 (CH2) | 34.9 |
| 5 (CH) | 128.5 |
| 6 (CH) | 109.1 |
| 7 (C) | 133.5 |
| 8 (C) | 112 |
| 9 (C) | 131.2 |
| 10 (C) | 116.7 |
| 1' (C) | 130.8 |
| 2' (CH) | 129.5 |
| 3' (CH) | 116.2 |
| 4' (C) | 132.3 |
| 5' (CH) | 116.2 |
| 6' (CH) | 129.5 |
| 8a (CH3) | 9.3 |
