Spektraris NMR
5alpha-(3,4,5-Trimethoxyphenyl)-2-phenyl-3,3aalpha,4,5-tetrahydro-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol acetate
![5alpha-(3,4,5-Trimethoxyphenyl)-2-phenyl-3,3aalpha,4,5-tetrahydro-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol acetate](/nmr/static/nmr/svg/5845.svg)
Common Name: 5alpha-(3,4,5-Trimethoxyphenyl)-2-phenyl-3,3aalpha,4,5-tetrahydro-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol acetate
Synonyms: 5alpha-(3,4,5-Trimethoxyphenyl)-2-phenyl-3,3aalpha,4,5-tetrahydro-2H-[1,3]benzodioxolo[5,6-g]indazole-4alpha-methanol acetate
CAS Registry Number:
InChI: InChI=1S/C30H30N2O7/c1-17(33)37-15-23-22-14-32(19-8-6-5-7-9-19)31-29(22)21-13-25-24(38-16-39-25)12-20(21)28(23)18-10-26(34-2)30(36-4)27(11-18)35-3/h5-13,22-23,28H,14-16H2,1-4H3/t22-,23-,28+/m0/s1
InChIKey: InChIKey=NQCSHODAKYIIHH-UXWDXCIHSA-N
Formula: C30H30N2O7
Molecular Weight: 530.56962
Exact Mass: 530.205301
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) | 122.2 |
| 2 (C) | 134.7 |
| 3 (CH) | 109.5 |
| 4 (C) | 149.4 |
| 5 (C) | 147.4 |
| 6 (CH) | 103.2 |
| 7 (C) | 150.2 |
| 8 (CH) | 41.8 |
| 9 (CH2) | 54.3 |
| 1' (C) | 135.5 |
| 2' (CH) | 107.6 |
| 3' (C) | 153.2 |
| 4' (C) | 137.9 |
| 5' (C) | 153.2 |
| 6' (CH) | 107.6 |
| 7' (CH) | 41.9 |
| 8' (CH) | 47.8 |
| 9' (CH2) | 65.1 |
| 4a (CH2) | 101.3 |
| 9a (C) | 146.8 |
| 9b (CH) | 113.6 |
| 9c (CH) | 129.1 |
| 9d (CH) | 119.7 |
| 9e (CH) | 129.1 |
| 9f (CH) | 113.6 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 56.3 |
| 9'a (C) | 170.4 |
| 9'b (CH3) | 20.8 |
