(2S)-4alpha-[[(1R)-6-Methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1beta-ylmethyl]-3alpha-ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid

(2S)-4alpha-[[(1R)-6-Methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1beta-ylmethyl]-3alpha-ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid

Common Name: (2S)-4alpha-[[(1R)-6-Methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1beta-ylmethyl]-3alpha-ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylic acid

Synonyms: (2S)-4alpha-[[(1R)-6-Methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1beta-ylmethyl]-3alpha-ethenyl-2beta-(beta-D-glucopyranosyloxy)-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-MDXCLUIBSA-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) 57.5
3 (CH2) 39.1
4 (CH2) 25.9
5 (CH) 112.4
6 (C) 149.1
7 (C) 146.9
8 (CH) 114.1
9 (C) 126
10 (C) 123.9
1' (CH) 96.8
3' (CH) 150.2
4' (C) 116.2
5' (CH) 35
6' (CH2) 38.7
8' (CH) 136.2
9' (CH) 46
10' (CH2) 120.2
11' (C) 175
1'' (CH) 100.2
2'' (CH) 74.8
3'' (CH) 78
4'' (CH) 71.7
5'' (CH) 78.4
6'' (CH2) 62.8
6a (CH3) 56.4