(4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

(4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

Common Name: (4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

Synonyms: (4S)-4beta-[(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-ylmethyl]-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-19(35-3)18(34-2)7-12(14)5-6-27-17)16(24(32)33)11-36-25(13)38-26-23(31)22(30)21(29)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-31H,1,5-6,8,10H2,2-3H3,(H,32,33)/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1

InChIKey: InChIKey=BTFMYVDAWDKTHJ-QIAPLWSDSA-N

Formula: C26H35N1O11

Molecular Weight: 537.557257

Exact Mass: 537.221011

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) 53.9
3 (CH2) 40.8
4 (CH2) 26.2
5 (CH) 113.1
6 (C) 150.4
7 (C) 150
8 (CH) 110.9
9 (C) 125.5
10 (C) 126
1' (CH) 96.7
3' (CH) 153.1
4' (C) 113.9
5' (CH) 34.1
6' (CH2) 36.8
8' (CH) 136.6
9' (CH) 46
10' (CH2) 118.9
11' (C) 176
1'' (CH) 100.3
2'' (CH) 74.8
3'' (CH) 78.1
4'' (CH) 71.9
5'' (CH) 78.6
6'' (CH2) 63.1
6a (CH3) 56.5
7a (CH3) 56.9