Spektraris NMR
(2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
![(2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid](/nmr/static/nmr/svg/4080.svg)
Common Name: (2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Synonyms: (2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
CAS Registry Number:
InChI: InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-17(28)18(34-2)6-11(13)4-5-26-16)15(23(32)33)10-35-24(12)37-25-22(31)21(30)20(29)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-31H,1,4-5,7,9H2,2H3,(H,32,33)/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey: InChIKey=SQIULMODQKFOOJ-ONGZBVEHSA-N
Formula: C25H33N1O11
Molecular Weight: 523.53064
Exact Mass: 523.205361
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh A., Tanahashi T., Tabata M., Shikata M., Kakite M., Nagai M., Nagakura N. Phytochemistry (2001) 56, 623-30
Species:
Notes: Family : Alkaloids, Type : Isoquinolines, Group : Monoterpenoids; 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 (CH) | 53.8 |
| 3 (CH2) | 41 |
| 4 (CH2) | 26.1 |
| 5 (CH) | 112.7 |
| 6 (C) | 149 |
| 7 (C) | 147 |
| 8 (CH) | 113.5 |
| 9 (C) | 125.9 |
| 10 (C) | 124 |
| 1' (CH) | 96.8 |
| 3' (CH) | 153.2 |
| 4' (C) | 113.7 |
| 5' (CH) | 33.7 |
| 6' (CH2) | 36.7 |
| 8' (CH) | 136.5 |
| 9' (CH) | 46 |
| 10' (CH2) | 119 |
| 11' (C) | 175.6 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 62.9 |
| 6a (CH3) | 56.4 |
