Spektraris NMR
2-Phenyl-3,3aalpha,4,5-tetrahydro-5alpha-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol
![2-Phenyl-3,3aalpha,4,5-tetrahydro-5alpha-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol](/nmr/static/nmr/svg/5844.svg)
Common Name: 2-Phenyl-3,3aalpha,4,5-tetrahydro-5alpha-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol
Synonyms: 2-Phenyl-3,3aalpha,4,5-tetrahydro-5alpha-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol
CAS Registry Number:
InChI: InChI=1S/C28H28N2O6/c1-32-24-9-16(10-25(33-2)28(24)34-3)26-18-11-22-23(36-15-35-22)12-19(18)27-20(21(26)14-31)13-30(29-27)17-7-5-4-6-8-17/h4-12,20-21,26,31H,13-15H2,1-3H3/t20-,21-,26+/m0/s1
InChIKey: InChIKey=DRYVPLVAPVJOGP-ISJBWFOZSA-N
Formula: C28H28N2O6
Molecular Weight: 488.532862
Exact Mass: 488.194737
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castro, M.A., Miguel del Corral, M., Lopez-Vazquez, L., Garcia, P.A., San Feliciano, A. Magn Reson Chem (1985) 23, 389
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 122.4 |
| 2 (C) | 135.2 |
| 3 (CH) | 109.6 |
| 4 (C) | 149.3 |
| 5 (C) | 147.3 |
| 6 (CH) | 103.2 |
| 7 (C) | 151.1 |
| 8 (CH) | 41.5 |
| 9 (CH2) | 54.4 |
| 1' (C) | 136.2 |
| 2' (CH) | 107.6 |
| 3' (C) | 153.2 |
| 4' (C) | 137.5 |
| 5' (C) | 153.2 |
| 6' (CH) | 107.6 |
| 7' (CH) | 45.2 |
| 8' (CH) | 47.6 |
| 9' (CH2) | 63.5 |
| 4a (CH2) | 101.3 |
| 9a (C) | 146.9 |
| 9b (CH) | 113.6 |
| 9c (CH) | 129.1 |
| 9d (CH) | 119.6 |
| 9e (CH) | 129.1 |
| 9f (CH) | 113.6 |
| 3'a (CH3) | 56.4 |
| 4'a (CH3) | 60.6 |
| 5'a (CH3) | 56.4 |
