Spektraris NMR
Boehmenan H
Common Name: Boehmenan H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O9/c1-35-25-14-18(6-9-23(25)32)7-11-28(34)38-12-4-5-19-13-21-22(17-31)29(39-30(21)27(15-19)37-3)20-8-10-24(33)26(16-20)36-2/h6-11,13-16,22,29,31-33H,4-5,12,17H2,1-3H3/b11-7+/t22-,29+/m1/s1
InChIKey: InChIKey=KOBORJOWBMUJED-WGFAJSKUSA-N
Formula: C30H32O9
Molecular Weight: 536.570825
Exact Mass: 536.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seca A.M., Silva A.M., Silvestre A.J., Cavaleiro J.A., Domingues F.M., Pascoal-Neto C. Phytochemistry (2001) 56, 759-67
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Benzofurans; 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) | 87.8 |
| 3 (CH) | 53.7 |
| 4 (CH) | 116 |
| 5 (C) | 134.6 |
| 6 (CH) | 112.3 |
| 7 (C) | 144.2 |
| 8 (C) | 146.6 |
| 9 (C) | 127.8 |
| α (CH) | 115.3 |
| β (CH) | 145 |
| 1' (C) | 133 |
| 2' (CH) | 108.8 |
| 3' (C) | 146.6 |
| 4' (C) | 145.6 |
| 5' (CH) | 114.2 |
| 6' (CH) | 119.4 |
| 1'' (CH2) | 63.7 |
| 1''' (CH2) | 32 |
| 2''' (CH2) | 30.6 |
| 3''' (CH2) | 63.5 |
| 1'''' (C) | 126.9 |
| 2'''' (CH) | 109.3 |
| 3'''' (C) | 146.7 |
| 4'''' (C) | 148 |
| 5'''' (CH) | 114.7 |
| 6'''' (CH) | 123 |
| 7a (CH3) | 56 |
| 3'a (CH3) | 56 |
| 3'''a (C) | 56 |
| 3''''a (CH3) | 167.4 |
