Spektraris NMR
(5R)-5,5abeta,7,8,8abeta,9-Hexahydro-5beta-(3,4,5-trimethoxyphenyl)-7-methoxy-9-(methoxyimino)-6H-1,3-benzodioxolo[5,6-f]isoindol-6-one
![(5R)-5,5abeta,7,8,8abeta,9-Hexahydro-5beta-(3,4,5-trimethoxyphenyl)-7-methoxy-9-(methoxyimino)-6H-1,3-benzodioxolo[5,6-f]isoindol-6-one](/nmr/static/nmr/svg/5873.svg)
Common Name: (5R)-5,5abeta,7,8,8abeta,9-Hexahydro-5beta-(3,4,5-trimethoxyphenyl)-7-methoxy-9-(methoxyimino)-6H-1,3-benzodioxolo[5,6-f]isoindol-6-one
Synonyms: (5R)-5,5abeta,7,8,8abeta,9-Hexahydro-5beta-(3,4,5-trimethoxyphenyl)-7-methoxy-9-(methoxyimino)-6H-1,3-benzodioxolo[5,6-f]isoindol-6-one
CAS Registry Number:
InChI: InChI=1S/C24H26N2O8/c1-28-18-6-12(7-19(29-2)23(18)30-3)20-13-8-16-17(34-11-33-16)9-14(13)22(25-31-4)15-10-26(32-5)24(27)21(15)20/h6-9,15,20-21H,10-11H2,1-5H3/b25-22-/t15-,20+,21+/m0/s1
InChIKey: InChIKey=UAMHJUVEFLCRFG-QNLOGDCMSA-N
Formula: C24H26N2O8
Molecular Weight: 470.472847
Exact Mass: 470.168916
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) | 132.4 |
| 2 (C) | 124.5 |
| 3 (CH) | 109.5 |
| 4 (C) | 150.2 |
| 5 (C) | 148.2 |
| 6 (CH) | 104.8 |
| 7 (C) | 154.9 |
| 8 (CH) | 28.4 |
| 9 (CH2) | 49.5 |
| 1' (C) | 138.1 |
| 2' (CH) | 105.1 |
| 3' (C) | 153.6 |
| 4' (C) | 137.4 |
| 5' (C) | 153.6 |
| 6' (CH) | 105.1 |
| 7' (CH) | 44.4 |
| 8' (CH) | 45.8 |
| 9' (C) | 169 |
| 4a (CH2) | 101.4 |
| 7a (CH3) | 61.9 |
| 3'a (CH3) | 62.4 |
| 4'a (CH3) | 56.1 |
| 5'a (CH3) | 60.7 |
| 9'a (CH3) | 56.1 |
