(3S)-6alpha-(beta-D-Glucopyranosyloxy)-3abeta,6,6abeta,7,8,9,9abeta,9balpha-octahydro-6-(hydroxymethyl)-3beta-methyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one

(3S)-6alpha-(beta-D-Glucopyranosyloxy)-3abeta,6,6abeta,7,8,9,9abeta,9balpha-octahydro-6-(hydroxymethyl)-3beta-methyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one

Common Name: (3S)-6alpha-(beta-D-Glucopyranosyloxy)-3abeta,6,6abeta,7,8,9,9abeta,9balpha-octahydro-6-(hydroxymethyl)-3beta-methyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3S)-6alpha-(beta-D-Glucopyranosyloxy)-3abeta,6,6abeta,7,8,9,9abeta,9balpha-octahydro-6-(hydroxymethyl)-3beta-methyl-9-methyleneazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C21H30O9/c1-9-3-4-12-14(9)18-11(10(2)19(27)29-18)5-6-21(12,8-23)30-20-17(26)16(25)15(24)13(7-22)28-20/h5-6,10-18,20,22-26H,1,3-4,7-8H2,2H3/t10-,11-,12+,13+,14-,15+,16-,17+,18-,20-,21+/m0/s1

InChIKey: InChIKey=RPQTUGURKSFZTM-MHMJNRRMSA-N

Formula: C21H30O9

Molecular Weight: 426.458321

Exact Mass: 426.188983

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kisiel W., Michalska K. Phytochemistry (2002) 61, 891-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 46.53
2 (CH2) 24.69
3 (CH2) 28.87
4 (C) 151.3
5 (CH) 52.09
6 (CH) 77.29
7 (CH) 45.71
8 (CH) 131.29
9 (CH) 135.58
10 (C) 83.29
11 (CH) 41.82
12 (C) 178.25
13 (CH3) 12.81
14 (CH2) 66.77
15 (CH2) 108.48
1' (CH) 98.37
2' (CH) 74.91
3' (CH) 78.68
4' (CH) 71.46
5' (CH) 77.89
6' (CH2) 62.35